acompound

Showing entry for (2R)-2-(4-Hydroxyphenyl)-6-[1-(4-Hydroxyphenyl)-3-(4-Hydroxy-2-Methoxyphenyl)Propyl]-8-Methylchroman-7-Ol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045237
Compound Name	(2R)-2-(4-Hydroxyphenyl)-6-[1-(4-Hydroxyphenyl)-3-(4-Hydroxy-2-Methoxyphenyl)Propyl]-8-Methylchroman-7-Ol
Structure
Formula	C32H32O6
InchiKey	ZYNHARKRZSKBAU-ZBAATNBSSA-N
SMILES	COc1cc(O)ccc1CCC(c1cc2CC[C@@H](Oc2c(c1O)C)c1ccc(cc1)O)c1ccc(cc1)O
Inchi	InChI=1S/C32H32O6/c1-19-31(36)28(17-23-9-16-29(38-32(19)23)21-5-12-25(34)13-6-21)27(20-3-10-24(33)11-4-20)15-8-22-7-14-26(35)18-30(22)37-2/h3-7,10-14,17-18,27,29,33-36H,8-9,15-16H2,1-2H3/t27?,29-/m1/s1
IUPAC	(2R)-6-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-2-(4-hydroxyphenyl)-8-methyl-3,4-dihydro-2H-chromen-7-ol
Molecular Weight	512.22
Pubchem Id	23655938
Chembl Id	CHEMBL254647

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT009187	Dipeptidyl peptidase 4	reviewed	Enzyme	DPP4	-	>39100	-	-
reviewed	BXGT005630	Prothrombin	reviewed	Enzyme	F2	-	21500	-	-

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P00734	BXGT005630	Prothrombin	reviewed	Enzyme	F2	IC50	'='	21500	nM
P27487	BXGT009187	Dipeptidyl peptidase 4	reviewed	Enzyme	DPP4	IC50	'>'	39100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01460	Dracaena cochinchinensis	Dracaena cochinchinensis	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}