acompound

Showing entry for 3'-[Gamma-Hydroxymethyl-(E)-Gamma-Methylallyl]-2,4,2',4'-Tetrahydroxychalcone 11'-O-Coumarate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036851
Compound Name	3'-[Gamma-Hydroxymethyl-(E)-Gamma-Methylallyl]-2,4,2',4'-Tetrahydroxychalcone 11'-O-Coumarate
Structure
Formula	C29H26O8
InchiKey	XXQUTHYOIGFGPG-MPKNGZDBSA-N
SMILES	C/C(=C\Cc1c(O)ccc(c1O)C(=O)/C=C/c1ccc(cc1O)O)/COC(=O)/C=C/c1ccc(cc1)O
Inchi	InChI=1S/C29H26O8/c1-18(17-37-28(35)15-5-19-3-8-21(30)9-4-19)2-11-23-26(33)14-12-24(29(23)36)25(32)13-7-20-6-10-22(31)16-27(20)34/h2-10,12-16,30-31,33-34,36H,11,17H2,1H3/b13-7+,15-5+,18-2+
IUPAC	[(E)-4-[3-[(E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl]-2-methylbut-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular Weight	502.16
Pubchem Id	10228895
Chembl Id	CHEMBL514745

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	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	-	500	-	-

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
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'='	500	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05476	Broussonetia papyrifera	Broussonetia papyrifera	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}