acompound

Showing entry for (2S)-2',4'-Dihydroxy-7-Methoxy-8-Prenylflavan

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0012691
Compound Name	(2S)-2',4'-Dihydroxy-7-Methoxy-8-Prenylflavan
Structure
Formula	C21H24O5
InchiKey	NKWZCXSFJQEDSE-IBGZPJMESA-N
SMILES	COc1cc(O)c2c(c1CC=C(C)C)O[C@@H](CC2)c1ccc(cc1O)O
Inchi	InChI=1S/C21H24O5/c1-12(2)4-6-16-20(25-3)11-18(24)15-8-9-19(26-21(15)16)14-7-5-13(22)10-17(14)23/h4-5,7,10-11,19,22-24H,6,8-9H2,1-3H3/t19-/m0/s1
IUPAC	4-[(2S)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]benzene-1,3-diol
Molecular Weight	356.16
Pubchem Id	44567161
Chembl Id	CHEMBL463255

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	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	810	-	-

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	IC50	'='	810	nM
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'>'	40	ug.mL-1

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
BXGF05550	Morus yunnanensis	Morus yunnanensis	Others

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}