Compound details

2-[2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7-(3-methyl-2-butenyl)-5-benzofuranyl]-2,3-dihydro-7-hydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one

Compound ID	CDAMM02866
Common name	2-[2,3-Dihydro-2-(1-hydroxy-1-methylethyl)-7-(3-methyl-2-butenyl)-5-benzofuranyl]-2,3-dihydro-7-hydroxy-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
IUPAC name	7-hydroxy-2-[2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Molecular formula	C₃₀H₃₆O₅

Experimental data

Retention time	12.89
Adduct	[M+Na]+
Actual mz	499.249
Theoretical mz	499.245
Error	8.38
Ionizaton mode	Positive
Instrument type	LC-MS/MS-QTOF, spectrum predicted by MS-DIAL v4.9 integrated with MS-FINDER 3.60
Score	6.3538

Identifiers and class information

Inchi key	GUOZFKYIHZVTRA-UHFFFAOYNA-N
Smiles	O=C1C2=CC=C(O)C(=C2OC(C=3C=C(C=4OC(CC4C3)C(O)(C)C)CC=C(C)C)C1)CC=C(C)C
Superclass	Phenylpropanoids and polyketides
Class	Flavonoids

Plant source

Convolvulus prostratus Forssk.

External sources

HMDB ID
KNApSAcK ID	C00020676
FooDB ID
DrugBank ID
ChEBI ID
Pubchem Compound ID	162886636
PlantCyc ID
UNPD ID	UNPD87277
Coconut ID	CNP0153191
LipidMAPS ID
NANPDB ID

Pharmacokinetic properties

Number of descriptor values(#stars)	2
Number of non-conjugated amine groups (#amine)	0
Number of amidine and guanidine groups (#amidine)	0
Number of carboxylic acid groups (#acid)	0
Number of non-conjugated amide groups (#amide)	0
Number of rotatable bonds (#rotor)	7
Number of reactive functional groups (#rtvFG)	0
Predicted central nervous system activity (CNS)	-2
Molecular weight (mol_MW)	476.611
Computed dipole moment(dipole)	4.416
Total solvent accessible surface area (SASA)	765.797
Hydrophobic component of SASA (FOSA)	509.885
Hydrophilic component of SASA (FISA)	121.949
Pie component of the SASA (PISA)	133.962
Weakly polar component of the SASA (WPSA)	0
Total solvent accesible volume (volume)	1524.93
Number of hydrogen bond donors (donorHB)	2
Number of hydrogen bond acceptors (accptHB)	5
Free energy of solvation of dipole (dip^2/V)	0.0127888
Index of cohesive interaction in solids (ACxDN^.5/SA)	0.0092336
Globularity descriptor (glob)	0.836665
Predicted polarizability in cubic angstroms (QPpolrz)	51.658
Predicted hexadecane/gas partition coefficient (QPlogPC16)	14.496
Predicted octanol/gas partition coefficient (QPlogPoct)	22.934
Predicted water/gas partition coefficient (QPlogPw)	9.613
Predicted octanol/water partition coefficient (QPlogPo/w)	5.931
Predicted aqueous solubility (QPlogS)	-7.091
Conformation-independent predicted aqueous solubility (CIQPlogS)	-7.707
Predicted IC50 value for blockage of HERG K+ channels (QPlogHERG)	-4.814
Predicted apparent Caco-2 cell permeability in nm/sec (QPPCaco)	690.962
Predicted brain/blood partition coefficient (QPlogBB)	-1.02
Predicted apparent MDCK cell permeability in nm/sec (QPPMDCK)	331.756
Predicted skin permeability, log Kp (QPlogKp)	-2.623
PM3 calculated ionization potential (IP(ev))	9.013
PM3 calculated electron affinity (EA(eV))	0.372
Number of likely metabolic reactions (#metab)	11
Prediction of binding to human serum albumin (QPlogKhsa)	1.441
Predicted qualitative human oral absorption (HumanOralAbsorption)	1
Predicted human oral absorption on 0 to 100% scale (PercentHumanOralAbsorption)	100
Solvent-accessible surface area of fluorine atoms (SAFluorine)	0
Solvent-accessible surface area of amide oxygen atoms (SAamideO)	0
Van der Waals surface area (PSA)	82.055
Number of nitrogen and oxygen atoms (#NandO)	5
Number of violations of Lipinski’s rule of five (RuleOfFive)	1
Number of violations of Jorgensen’s rule of three (RuleOfThree)	2

Compound-target network

Cytoscape Graph

Protein targets associated with phytocompound

Uniprot ID	Gene name	Target name	TTD_ID	Prediction source
P22303	ACHE	Acetylcholinesterase	T30082	SwissTargetPrediction
P30542	ADORA1	Adenosine A1 receptor	T92072	SwissTargetPrediction
O43570	CA12	Carbonic anhydrase XII	T16987	SwissTargetPrediction
P00797	REN	Renin	T61622	SwissTargetPrediction
P00734	F2	Thrombin	T94033	SwissTargetPrediction
P0DMS8	ADORA3	Adenosine A3 receptor	T36059	SwissTargetPrediction
P42338	PIK3CB	PI3-kinase p110-beta subunit	T05031	SwissTargetPrediction
P42336	PIK3CA	PI3-kinase p110-alpha subunit	T80276	SwissTargetPrediction
P00918	CA2	Carbonic anhydrase II	T20401	SwissTargetPrediction
P06239	LCK	Tyrosine-protein kinase LCK	T12499	SwissTargetPrediction
P43405	SYK	Tyrosine-protein kinase SYK	T62431	SwissTargetPrediction
P04054	PLA2G1B	Phospholipase A2 group 1B	T31479	SwissTargetPrediction
P43166	CA7	Carbonic anhydrase VII	T37541	SwissTargetPrediction
P22748	CA4	Carbonic anhydrase IV	T53378	SwissTargetPrediction
P27338	MAOB	Monoamine oxidase B	T83011	SwissTargetPrediction
P42785	PRCP	Lysosomal Pro-X carboxypeptidase	T20371	SwissTargetPrediction
P07384	CAPN1	Calpain 1	T92517	SwissTargetPrediction
P23141	CES1	Acyl coenzyme A:cholesterol acyltransferase	T76369	SwissTargetPrediction
Q5T7T8	COX1	Prostaglandin G/H synthase 1	T60529	SwissTargetPrediction
P11926	ODC1	Ornithine decarboxylase	T60366	SEA
P10275	AR	Androgen Receptor	T11211	SwissTargetPrediction
Q92731	ESR2	Estrogen receptor beta	T80896	SwissTargetPrediction
P35968	KDR	Vascular endothelial growth factor receptor 2	T80975	SwissTargetPrediction
Q8NER1	TRPV1	Vanilloid receptor	T83193	SwissTargetPrediction
P08235	NR3C2	Mineralocorticoid receptor	T72168	SwissTargetPrediction
P04150	NR3C1	Glucocorticoid receptor	T40016	SwissTargetPrediction
P06401	PGR	Progesterone receptor	T22939	SwissTargetPrediction
P11511	CYP19A1	Cytochrome P450 19A1	T13260	SwissTargetPrediction and SEA
P18031	PTPN1	Protein-tyrosine phosphatase 1B	T16347	SwissTargetPrediction and SEA
P28845	HSD11B1	11-beta-hydroxysteroid dehydrogenase 1	T65200	SwissTargetPrediction
P11473	VDR	Vitamin D receptor	T34234	SwissTargetPrediction
P08253	MMP2	Matrix metalloproteinase 2	T68251	SwissTargetPrediction
P22894	MMP8	Matrix metalloproteinase 8	T08856	SwissTargetPrediction
P08254	MMP3	Matrix metalloproteinase 3	T86702	SwissTargetPrediction
P03372	ESR1	Estrogen receptor alpha	T02506	SwissTargetPrediction
P03956	MMP1	Matrix metalloproteinase 1	T52450	SwissTargetPrediction
P17655	CAPN2	Calpain 2	T86837	SwissTargetPrediction
P05121	SERPINE1	Plasminogen activator inhibitor-1	T15556	SwissTargetPrediction
P08183	ABCB1	P-glycoprotein 1	T25258	SwissTargetPrediction
P35372	OPRM1	Mu opioid receptor	T47768	SwissTargetPrediction
P41145	OPRK1	Kappa Opioid receptor	T60693	SwissTargetPrediction
Q15118	PDK1	Pyruvate dehydrogenase kinase isoform 1	T20891	SwissTargetPrediction
P42345	MTOR	Serine/threonine-protein kinase mTOR	T75243	SwissTargetPrediction
O14757	CHEK1	Serine/threonine-protein kinase Chk1	T62449	SwissTargetPrediction
P14061	HSD17B1	Estradiol 17-beta-dehydrogenase 1	T44011	SwissTargetPrediction
P00519	ABL1	Tyrosine-protein kinase ABL	T63505	SwissTargetPrediction
P06276	BCHE	Butyrylcholinesterase	T99799	SwissTargetPrediction
P30291	WEE1	Serine/threonine-protein kinase WEE1	T69991	SwissTargetPrediction
O60674	JAK2	Tyrosine-protein kinase JAK2	T08391	SwissTargetPrediction
P56817	BACE1	Beta-secretase 1	T79031	SwissTargetPrediction
P45452	MMP13	Matrix metalloproteinase 13	T34296	SwissTargetPrediction
P78536	ADAM17	ADAM17	T82393	SwissTargetPrediction
Q9Y233	PDE10A	Phosphodiesterase 10A (by homology)	T84133	SwissTargetPrediction
P09237	MMP7	Matrix metalloproteinase 7	T73475	SwissTargetPrediction
P35270	SPR	Substance-P receptor	T47094	SwissTargetPrediction
P07711	CTSL	Cathepsin L	T98691	SwissTargetPrediction
P41143	OPRD1	Delta opioid receptor	T58992	SwissTargetPrediction
P00742	F10	Thrombin and coagulation factor X	T84631	SwissTargetPrediction
P37231	PPARG	Peroxisome proliferator-activated receptor gamma	T58921	SwissTargetPrediction
P11137	MAP2	Microtubule-associated protein 2	T23276	SwissTargetPrediction
O75116	ROCK2	Rho-associated protein kinase 2	T06093	SwissTargetPrediction
P08238	HSP90AB1	Heat shock protein HSP 90-beta	T96623	SwissTargetPrediction
P07900	HSP90AA1	Heat shock protein HSP 90-alpha	T18477	SwissTargetPrediction
P36897	TGFBR1	TGF-beta receptor type I	T53389	SwissTargetPrediction
O00329	PIK3CD	PI3-kinase p110-delta subunit	T67849	SwissTargetPrediction
P53779	MAPK10	c-Jun N-terminal kinase 3	T85421	SwissTargetPrediction
Q9UNA0	ADAMTS5	ADAMTS5	T98896	SwissTargetPrediction
P20151	KLK2	Kallikrein 2	T01908	SwissTargetPrediction
P28482	MAPK1	MAP kinase ERK2	T58970	SwissTargetPrediction
P39900	MMP12	Matrix metalloproteinase 12	T03500	SwissTargetPrediction
P07333	CSF1R	Macrophage colony stimulating factor receptor	T20333	SwissTargetPrediction
P31639	SLC5A2	Sodium/glucose cotransporter 2	T30085	SwissTargetPrediction
Q07912	TNK2	Tyrosine kinase non-receptor protein 2	T63220	SwissTargetPrediction
P08922	ROS1	Proto-oncogene tyrosine-protein kinase ROS	T69128	SwissTargetPrediction
P21730	C5AR1	C5a anaphylatoxin chemotactic receptor	T15439	SwissTargetPrediction
P41146	OPRL1	Nociceptin receptor	T52921	SwissTargetPrediction
P34998	CRHR1	Corticotropin releasing factor receptor 1 (by homology)	T45262	SwissTargetPrediction
Q00987	MDM2	p53-binding protein Mdm-2	T00176	SwissTargetPrediction
P19793	RXRA	Retinoid X receptor alpha (by homology)	T13726	SwissTargetPrediction and SEA
P48736	PIK3CG	PI3-kinase p110-gamma subunit	T95913	SwissTargetPrediction
Q13093	PLA2G7	LDL-associated phospholipase A2	T69912	SwissTargetPrediction
Q08881	ITK	Tyrosine-protein kinase ITK/TSK	T77537	SwissTargetPrediction
Q16602	CALCRL	Calcitonin gene-related peptide type 1 receptor	T02226	SwissTargetPrediction
Q16875	PFKFB3	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3	T23787	SwissTargetPrediction
P15056	BRAF	Serine/threonine-protein kinase B-raf	T99089	SwissTargetPrediction
O75908	SOAT2	Acyl coenzyme A:cholesterol acyltransferase 2	T14463	SwissTargetPrediction
Q9UNQ0	ABCG2	ATP-binding cassette sub-family G member 2	T56556	SwissTargetPrediction
P53671	LIMK2	LIM domain kinase 2	T09133	SwissTargetPrediction
Q07343	PDE4B	Phosphodiesterase 4B (by homology)	T10265	SwissTargetPrediction
Q16678	CYP1B1	Cytochrome P450 1B1	T92521	SwissTargetPrediction and SEA
O75907	DGAT1	Diacylglycerol O-acyltransferase 1	T16688	SwissTargetPrediction
P42681	TXK	Tyrosine-protein kinase TXK	T32590	SwissTargetPrediction
O75173	ADAMTS4	ADAMTS4	T79570	SwissTargetPrediction
P16152	CBR1	Carbonyl reductase [NADPH] 1	T70518	SwissTargetPrediction and SEA
O43353	RIPK2	Serine/threonine-protein kinase RIPK2	T92463	SwissTargetPrediction
P12004	PCNA	Proliferating cell nuclear antigen	T21782	SwissTargetPrediction
P01137	TGFB1	Transforming growth factor beta-1	T97257	SwissTargetPrediction

Target associated diseases

TTD_ID	Disease_ID	Disease name	ICD_11	Uniprot ID	Gene names
T30082	DI0025	Alzheimer disease	[ICD-11: 8A20]	P22303	ACHE
T30082	DI0166	Glaucoma	[ICD-11: 9C61]	P22303	ACHE
T30082	DI0282	Myasthenia gravis	[ICD-11: 8C6Y]	P22303	ACHE
T30082	DI0313	Oesophageal/gastroduodenal disorder	[ICD-11: DD90]	P22303	ACHE
T30082	DI0332	Pediculosis	[ICD-11: 1G00]	P22303	ACHE
T30082	DI0421	Unspecific substance harmful effect	[ICD-11: NE6Z]	P22303	ACHE
T92072	DI0319	Orthostatic hypotension	[ICD-11: BA21]	P30542	ADORA1
T16987	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	O43570	CA12
T16987	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	O43570	CA12
T61622	DI0190	Hypertension	[ICD-11: BA00-BA04]	P00797	REN
T94033	DI0052	Bleeding disorder	[ICD-11: GA20-GA21]	P00734	F2
T94033	DI0091	Coagulation defect	[ICD-11: 3B10]	P00734	F2
T94033	DI0219	Ischaemic/haemorrhagic stroke	[ICD-11: 8B20]	P00734	F2
T94033	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P00734	F2
T94033	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P00734	F2
T94033	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	P00734	F2
T94033	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P00734	F2
T94033	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P00734	F2
T36059	DI0351	Psoriasis	[ICD-11: EA90]	P0DMS8	ADORA3
T36059	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P0DMS8	ADORA3
T05031	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P42338	PIK3CB
T80276	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P42336	PIK3CA
T80276	DI0151	Follicular lymphoma	[ICD-11: 2A80]	P42336	PIK3CA
T80276	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P42336	PIK3CA
T20401	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P00918	CA2
T20401	DI0137	Essential hypertension	[ICD-11: BA00]	P00918	CA2
T20401	DI0166	Glaucoma	[ICD-11: 9C61]	P00918	CA2
T20401	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P00918	CA2
T20401	DI0214	Insomnia	[ICD-11: 7A00-7A0Z]	P00918	CA2
T20401	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P00918	CA2
T12499	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P06239	LCK
T62431	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P43405	SYK
T31479	DI0230	Leishmaniasis	[ICD-11: 1F54]	P04054	PLA2G1B
T31479	DI0335	Peroxisomal disease	[ICD-11: 5C57]	P04054	PLA2G1B
T31479	DI0367	Rosacea	[ICD-11: ED90]	P04054	PLA2G1B
T31479	DI0398	Synthesis disorder	[ICD-11: 5C52-5C59]	P04054	PLA2G1B
T53378	DI0046	Bacterial infection	[ICD-11: 1A00-1C4Z]	P22748	CA4
T53378	DI0166	Glaucoma	[ICD-11: 9C61]	P22748	CA4
T53378	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	P22748	CA4
T83011	DI0115	Dementia	[ICD-11: 6D80-6D8Z]	P27338	MAOB
T83011	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P27338	MAOB
T83011	DI0190	Hypertension	[ICD-11: BA00-BA04]	P27338	MAOB
T83011	DI0243	Malaria	[ICD-11: 1F40-1F45]	P27338	MAOB
T83011	DI0264	Migraine	[ICD-11: 8A80]	P27338	MAOB
T83011	DI0331	Parkinsonism	[ICD-11: 8A00]	P27338	MAOB
T76369	DI0335	Peroxisomal disease	[ICD-11: 5C57]	P23141	CES1
T76369	DI0398	Synthesis disorder	[ICD-11: 5C52-5C59]	P23141	CES1
T60529	DI0141	Eye anterior segment structural developmental anomaly	[ICD-11: LA11]	Q5T7T8	COX1
T60529	DI0145	Female pelvic pain	[ICD-11: GA34]	Q5T7T8	COX1
T60529	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	Q5T7T8	COX1
T60529	DI0207	Indeterminate colitis	[ICD-11: DD72]	Q5T7T8	COX1
T60529	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	Q5T7T8	COX1
T60529	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	Q5T7T8	COX1
T60529	DI0324	Pain	[ICD-11: MG30-MG3Z]	Q5T7T8	COX1
T60529	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	Q5T7T8	COX1
T60529	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q5T7T8	COX1
T60529	DI0372	Seborrhoeic dermatitis	[ICD-11: EA81]	Q5T7T8	COX1
T60529	DI0416	Tuberculosis	[ICD-11: 1B10-1B12]	Q5T7T8	COX1
T60529	DI0419	Ulcerative colitis	[ICD-11: DD71]	Q5T7T8	COX1
T60366	DI0020	African trypanosomiasis	[ICD-11: 1F51]	P11926	ODC1
T11211	DI0005	Acne vulgaris	[ICD-11: ED80]	P10275	AR
T11211	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	P10275	AR
T11211	DI0021	Alcoholic liver disease	[ICD-11: DB94]	P10275	AR
T11211	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P10275	AR
T11211	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P10275	AR
T11211	DI0145	Female pelvic pain	[ICD-11: GA34]	P10275	AR
T11211	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P10275	AR
T11211	DI0237	Low bone mass disorder	[ICD-11: FB83]	P10275	AR
T11211	DI0247	Mammary tumour	[ICD-11: 2C60-2C6Z]	P10275	AR
T11211	DI0346	Prostate cancer	[ICD-11: 2C82]	P10275	AR
T11211	DI0401	Testicular dysfunction	[ICD-11: 5A81]	P10275	AR
T80896	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	Q92731	ESR2
T80896	DI0108	Cushing syndrome	[ICD-11: 5A70]	Q92731	ESR2
T80896	DI0254	Menopausal disorder	[ICD-11: GA30]	Q92731	ESR2
T80896	DI0432	Vasomotor/allergic rhinitis	[ICD-11: CA08]	Q92731	ESR2
T80975	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P35968	KDR
T80975	DI0095	Colorectal cancer	[ICD-11: 2B91]	P35968	KDR
T80975	DI0160	Gastrointestinal stromal tumour	[ICD-11: 2B5B]	P35968	KDR
T80975	DI0244	Malignant digestive organ neoplasm	[ICD-11: 2C11]	P35968	KDR
T80975	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P35968	KDR
T80975	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P35968	KDR
T80975	DI0395	Stomach cancer	[ICD-11: 2B72]	P35968	KDR
T80975	DI0403	Thrombocytopenia	[ICD-11: 3B64]	P35968	KDR
T80975	DI0407	Thyroid cancer	[ICD-11: 2D10]	P35968	KDR
T83193	DI0163	General pain disorder	[ICD-11: 8E43]	Q8NER1	TRPV1
T72168	DI0018	Adrenocortical insufficiency	[ICD-11: 5A74]	P08235	NR3C2
T72168	DI0083	Chronic kidney disease	[ICD-11: GB61]	P08235	NR3C2
T72168	DI0100	Contraceptive management	[ICD-11: QA21]	P08235	NR3C2
T72168	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P08235	NR3C2
T72168	DI0190	Hypertension	[ICD-11: BA00-BA04]	P08235	NR3C2
T72168	DI0194	Hypo-osmolality/hyponatraemia	[ICD-11: 5C72]	P08235	NR3C2
T40016	DI0016	Adaptive immunity immunodeficiency	[ICD-11: 4A01]	P04150	NR3C1
T40016	DI0022	Allergic/hypersensitivity disorder	[ICD-11: 4A80-4A8Z]	P04150	NR3C1
T40016	DI0037	Asthma	[ICD-11: CA23]	P04150	NR3C1
T40016	DI0086	Chronic obstructive pulmonary disease	[ICD-11: CA22]	P04150	NR3C1
T40016	DI0108	Cushing syndrome	[ICD-11: 5A70]	P04150	NR3C1
T40016	DI0280	Muscular dystrophy	[ICD-11: 8C70]	P04150	NR3C1
T40016	DI0314	Oesophagitis	[ICD-11: DA24]	P04150	NR3C1
T40016	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	P04150	NR3C1
T40016	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P04150	NR3C1
T40016	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P04150	NR3C1
T40016	DI0432	Vasomotor/allergic rhinitis	[ICD-11: CA08]	P04150	NR3C1
T22939	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P06401	PGR
T22939	DI0100	Contraceptive management	[ICD-11: QA21]	P06401	PGR
T22939	DI0255	Menstrual cycle bleeding disorder	[ICD-11: GA20]	P06401	PGR
T22939	DI0344	Preterm labour/delivery	[ICD-11: JB00]	P06401	PGR
T22939	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P06401	PGR
T13260	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P11511	CYP19A1
T13260	DI0108	Cushing syndrome	[ICD-11: 5A70]	P11511	CYP19A1
T16347	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P18031	PTPN1
T16347	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P18031	PTPN1
T16347	DI0308	Obesity	[ICD-11: 5B80-5B81]	P18031	PTPN1
T16347	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P18031	PTPN1
T65200	DI0210	Influenza	[ICD-11: 1E30-1E32]	P28845	HSD11B1
T65200	DI0239	Lupus erythematosus	[ICD-11: 4A40]	P28845	HSD11B1
T65200	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P28845	HSD11B1
T34234	DI0083	Chronic kidney disease	[ICD-11: GB61]	P11473	VDR
T34234	DI0171	Hair/hair growth developmental defect	[ICD-11: LC30]	P11473	VDR
T34234	DI0189	Hyper-parathyroidism	[ICD-11: 5A51]	P11473	VDR
T34234	DI0195	Hypo-parathyroidism	[ICD-11: 5A50]	P11473	VDR
T34234	DI0266	Mineral deficiency	[ICD-11: 5B5K]	P11473	VDR
T34234	DI0351	Psoriasis	[ICD-11: EA90]	P11473	VDR
T34234	DI0437	Vitamin deficiency	[ICD-11: 5B55-5B5F]	P11473	VDR
T68251	DI0238	Lung cancer	[ICD-11: 2C25]	P08253	MMP2
T08856	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P22894	MMP8
T86702	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P08254	MMP3
T86702	DI0179	Hepatitis virus infection	[ICD-11: 1E50-1E51]	P08254	MMP3
T86702	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	P08254	MMP3
T86702	DI0275	Multiple sclerosis	[ICD-11: 8A40]	P08254	MMP3
T86702	DI0287	Myocardial infarction	[ICD-11: BA41-BA43]	P08254	MMP3
T86702	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	P08254	MMP3
T86702	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P08254	MMP3
T02506	DI0106	COVID-19	[ICD-11: 1D6Y]	P03372	ESR1
T52450	DI0238	Lung cancer	[ICD-11: 2C25]	P03956	MMP1
T86837	DI0106	COVID-19	[ICD-11: 1D6Y]	P17655	CAPN2
T15556	DI0037	Asthma	[ICD-11: CA23]	P05121	SERPINE1
T15556	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P05121	SERPINE1
T25258	DI0238	Lung cancer	[ICD-11: 2C25]	P08183	ABCB1
T47768	DI0013	Acute pain	[ICD-11: MG31]	P35372	OPRM1
T47768	DI0059	Bowel habit change	[ICD-11: ME05]	P35372	OPRM1
T47768	DI0087	Chronic pain	[ICD-11: MG30]	P35372	OPRM1
T47768	DI0101	Corneal disease	[ICD-11: 9A76-9A78]	P35372	OPRM1
T47768	DI0105	Cough	[ICD-11: MD12]	P35372	OPRM1
T47768	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35372	OPRM1
T47768	DI0124	Digestive system disease	[ICD-11: DE2Z]	P35372	OPRM1
T47768	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P35372	OPRM1
T47768	DI0228	Large intestine motility disorder	[ICD-11: DB32]	P35372	OPRM1
T47768	DI0317	Opioid use disorder	[ICD-11: 6C43]	P35372	OPRM1
T47768	DI0324	Pain	[ICD-11: MG30-MG3Z]	P35372	OPRM1
T47768	DI0349	Pruritus	[ICD-11: EC90]	P35372	OPRM1
T47768	DI0374	Sensation disturbance	[ICD-11: MB40]	P35372	OPRM1
T60693	DI0304	Non-specific cutaneous vascular symptom	[ICD-11: ME64]	P41145	OPRK1
T60693	DI0324	Pain	[ICD-11: MG30-MG3Z]	P41145	OPRK1
T60693	DI0349	Pruritus	[ICD-11: EC90]	P41145	OPRK1
T20891	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	Q15118	PDK1
T75243	DI0036	Arteries/arterioles disorder	[ICD-11: BD52]	P42345	MTOR
T75243	DI0085	Chronic myelomonocytic leukaemia	[ICD-11: 2A40]	P42345	MTOR
T75243	DI0274	Multiple myeloma	[ICD-11: 2A83]	P42345	MTOR
T75243	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P42345	MTOR
T75243	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P42345	MTOR
T75243	DI0413	Transplant rejection	[ICD-11: NE84]	P42345	MTOR
T62449	DI0027	Anal cancer	[ICD-11: 2C00]	O14757	CHEK1
T62449	DI0172	Head and neck cancer	[ICD-11: 2D42]	O14757	CHEK1
T62449	DI0183	Hodgkin lymphoma	[ICD-11: 2B30]	O14757	CHEK1
T62449	DI0238	Lung cancer	[ICD-11: 2C25]	O14757	CHEK1
T62449	DI0241	Lymphoma	[ICD-11: 2A80-2A86]	O14757	CHEK1
T62449	DI0321	Ovarian cancer	[ICD-11: 2C73]	O14757	CHEK1
T62449	DI0326	Pancreatic cancer	[ICD-11: 2C10]	O14757	CHEK1
T62449	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	O14757	CHEK1
T63505	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P00519	ABL1
T63505	DI0220	Ischemia	[ICD-11: 8B10-8B11]	P00519	ABL1
T63505	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	P00519	ABL1
T63505	DI0306	Nutritional deficiency	[ICD-11: 5B50-5B71]	P00519	ABL1
T99799	DI0324	Pain	[ICD-11: MG30-MG3Z]	P06276	BCHE
T99799	DI0411	Tonus and reflex abnormality	[ICD-11: MB47]	P06276	BCHE
T69991	DI0321	Ovarian cancer	[ICD-11: 2C73]	P30291	WEE1
T69991	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P30291	WEE1
T69991	DI0429	Uterine ligament/parametrium/uterine adnexa neoplasm	[ICD-11: 2C72]	P30291	WEE1
T08391	DI0039	Atopic eczema	[ICD-11: EA80]	O60674	JAK2
T08391	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	O60674	JAK2
T08391	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	O60674	JAK2
T08391	DI0404	Thrombocytosis	[ICD-11: 3B63]	O60674	JAK2
T79031	DI0025	Alzheimer disease	[ICD-11: 8A20]	P56817	BACE1
T34296	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P45452	MMP13
T82393	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P78536	ADAM17
T82393	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	P78536	ADAM17
T84133	DI0079	Choreiform disorder	[ICD-11: 8A01]	Q9Y233	PDE10A
T84133	DI0206	Inborn purine/pyrimidine/nucleotide metabolism error	[ICD-11: 5C55]	Q9Y233	PDE10A
T84133	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	Q9Y233	PDE10A
T84133	DI0370	Schizophrenia	[ICD-11: 6A20]	Q9Y233	PDE10A
T84133	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q9Y233	PDE10A
T73475	DI0238	Lung cancer	[ICD-11: 2C25]	P09237	MMP7
T47094	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P35270	SPR
T47094	DI0293	Nausea/vomiting	[ICD-11: MD90]	P35270	SPR
T98691	DI0263	Middle East Respiratory Syndrome	[ICD-11: 1D64]	P07711	CTSL
T98691	DI0376	Severe acute respiratory syndrome	[ICD-11: 1D65]	P07711	CTSL
T58992	DI0059	Bowel habit change	[ICD-11: ME05]	P41143	OPRD1
T58992	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	P41143	OPRD1
T58992	DI0324	Pain	[ICD-11: MG30-MG3Z]	P41143	OPRD1
T84631	DI0053	Blood-forming organ disease	[ICD-11: 3C0Z]	P00742	F10
T84631	DI0080	Christmas disease	[ICD-11: 3B11]	P00742	F10
T84631	DI0091	Coagulation defect	[ICD-11: 3B10]	P00742	F10
T84631	DI0103	Coronary thrombosis	[ICD-11: BA43]	P00742	F10
T84631	DI0114	Deep vein thrombosis	[ICD-11: BD71]	P00742	F10
T84631	DI0397	Supraventricular tachyarrhythmia	[ICD-11: BC81]	P00742	F10
T84631	DI0405	Thrombosis	[ICD-11: DB61-GB90]	P00742	F10
T84631	DI0433	Venous thromboembolism	[ICD-11: BD72]	P00742	F10
T58921	DI0009	Acute diabete complication	[ICD-11: 5A2Y]	P37231	PPARG
T58921	DI0025	Alzheimer disease	[ICD-11: 8A20]	P37231	PPARG
T58921	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P37231	PPARG
T23276	DI0036	Arteries/arterioles disorder	[ICD-11: BD52]	P11137	MAP2
T23276	DI0252	Melanoma	[ICD-11: 2C30]	P11137	MAP2
T23276	DI0326	Pancreatic cancer	[ICD-11: 2C10]	P11137	MAP2
T23276	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P11137	MAP2
T06093	DI0168	Graft-versus-host disease	[ICD-11: 4B24]	O75116	ROCK2
T96623	DI0062	Breast cancer	[ICD-11: 2C60-2C6Y]	P08238	HSP90AB1
T96623	DI0238	Lung cancer	[ICD-11: 2C25]	P08238	HSP90AB1
T96623	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P08238	HSP90AB1
T96623	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P08238	HSP90AB1
T96623	DI0286	Myeloproliferative neoplasm	[ICD-11: 2A20]	P08238	HSP90AB1
T96623	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P08238	HSP90AB1
T96623	DI0395	Stomach cancer	[ICD-11: 2B72]	P08238	HSP90AB1
T18477	DI0015	Acute upper respiratory infection	[ICD-11: CA07]	P07900	HSP90AA1
T18477	DI0037	Asthma	[ICD-11: CA23]	P07900	HSP90AA1
T53389	DI0035	Arterial occlusive disease	[ICD-11: BD40]	P36897	TGFBR1
T53389	DI0238	Lung cancer	[ICD-11: 2C25]	P36897	TGFBR1
T67849	DI0151	Follicular lymphoma	[ICD-11: 2A80]	O00329	PIK3CD
T67849	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	O00329	PIK3CD
T67849	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	O00329	PIK3CD
T67849	DI0250	Mature B-cell lymphoma	[ICD-11: 2A85]	O00329	PIK3CD
T67849	DI0395	Stomach cancer	[ICD-11: 2B72]	O00329	PIK3CD
T85421	DI0125	Dissociative neurological symptom disorder	[ICD-11: 6B60]	P53779	MAPK10
T98896	DI0320	Osteoarthritis	[ICD-11: FA00-FA05]	Q9UNA0	ADAMTS5
T01908	DI0213	Innate/adaptive immunodeficiency	[ICD-11: 4A00]	P20151	KLK2
T58970	DI0036	Arteries/arterioles disorder	[ICD-11: BD52]	P28482	MAPK1
T58970	DI0252	Melanoma	[ICD-11: 2C30]	P28482	MAPK1
T58970	DI0326	Pancreatic cancer	[ICD-11: 2C10]	P28482	MAPK1
T58970	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	P28482	MAPK1
T03500	DI0037	Asthma	[ICD-11: CA23]	P39900	MMP12
T03500	DI0238	Lung cancer	[ICD-11: 2C25]	P39900	MMP12
T03500	DI0361	Renal cell carcinoma	[ICD-11: 2C90]	P39900	MMP12
T20333	DI0058	Bone/articular cartilage neoplasm	[ICD-11: 2F7B]	P07333	CSF1R
T30085	DI0120	Diabetes mellitus	[ICD-11: 5A10]	P31639	SLC5A2
T30085	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P31639	SLC5A2
T30085	DI0417	Type 2 diabetes mellitus	[ICD-11: 5A11]	P31639	SLC5A2
T69128	DI0238	Lung cancer	[ICD-11: 2C25]	P08922	ROS1
T69128	DI0303	Non-small-cell lung cancer	[ICD-11: 2C25]	P08922	ROS1
T15439	DI0431	Vasculitis	[ICD-11: 4A44]	P21730	C5AR1
T52921	DI0039	Atopic eczema	[ICD-11: EA80]	P41146	OPRL1
T52921	DI0117	Depression	[ICD-11: 6A70-6A7Z]	P41146	OPRL1
T52921	DI0173	Headache	[ICD-11: 8A80-8A84]	P41146	OPRL1
T52921	DI0175	Heart failure	[ICD-11: BD10-BD1Z]	P41146	OPRL1
T45262	DI0394	Staphylococcal/streptococcal disease	[ICD-11: 1B5Y]	P34998	CRHR1
T00176	DI0012	Acute myeloid leukaemia	[ICD-11: 2A60]	Q00987	MDM2
T00176	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q00987	MDM2
T13726	DI0225	Kaposi sarcoma	[ICD-11: 2B57]	P19793	RXRA
T13726	DI0283	Mycosis fungoides	[ICD-11: 2B01]	P19793	RXRA
T95913	DI0151	Follicular lymphoma	[ICD-11: 2A80]	P48736	PIK3CG
T95913	DI0245	Malignant haematopoietic neoplasm	[ICD-11: 2B33]	P48736	PIK3CG
T95913	DI0249	Mature B-cell leukaemia	[ICD-11: 2A82]	P48736	PIK3CG
T69912	DI0025	Alzheimer disease	[ICD-11: 8A20]	Q13093	PLA2G7
T69912	DI0035	Arterial occlusive disease	[ICD-11: BD40]	Q13093	PLA2G7
T69912	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	Q13093	PLA2G7
T23787	DI0391	Solid tumour/cancer	[ICD-11: 2A00-2F9Z]	Q16875	PFKFB3
T99089	DI0252	Melanoma	[ICD-11: 2C30]	P15056	BRAF
T14463	DI0017	Adrenal cancer	[ICD-11: 2D11]	O75908	SOAT2
T56556	DI0218	Irritable bowel syndrome	[ICD-11: DD91]	Q9UNQ0	ABCG2
T56556	DI0366	Rheumatoid arthritis	[ICD-11: FA20]	Q9UNQ0	ABCG2
T10265	DI0037	Asthma	[ICD-11: CA23]	Q07343	PDE4B
T10265	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	Q07343	PDE4B
T10265	DI0265	Mild neurocognitive disorder	[ICD-11: 6D71]	Q07343	PDE4B
T16688	DI0188	Hyper-lipoproteinaemia	[ICD-11: 5C80]	O75907	DGAT1
T70518	DI0037	Asthma	[ICD-11: CA23]	P16152	CBR1
T92463	DI0070	Cardiovascular disease	[ICD-11: BA00-BE2Z]	O43353	RIPK2
T92463	DI0339	Postoperative inflammation	[ICD-11: 1A00-CA43]	O43353	RIPK2
T21782	DI0308	Obesity	[ICD-11: 5B80-5B81]	P12004	PCNA
T97257	DI0199	Idiopathic interstitial pneumonitis	[ICD-11: CB03]	P01137	TGFB1