acompound

Showing entry for (3S)-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-6,8-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0020143
Compound Name	(3S)-3,5,7-Trihydroxy-3-(4-hydroxybenzyl)-6,8-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
Structure
Formula	C18H18O6
InchiKey	TUXGIPNQUYTUBE-SFHVURJKSA-N
SMILES	Oc1ccc(cc1)C[C@]1(O)COc2c(C1=O)c(O)c(c(c2C)O)C
Inchi	InChI=1S/C18H18O6/c1-9-14(20)10(2)16-13(15(9)21)17(22)18(23,8-24-16)7-11-3-5-12(19)6-4-11/h3-6,19-21,23H,7-8H2,1-2H3/t18-/m0/s1
IUPAC	(3S)-3,5,7-trihydroxy-3-[(4-hydroxyphenyl)methyl]-6,8-dimethyl-2H-chromen-4-one
Molecular Weight	330.11
Pubchem Id	71625780
Chembl Id	CHEMBL2385401

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

n.a

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

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
Q09137	BXGT013031	5'-AMP-activated protein kinase catalytic subunit alpha-2	reviewed	-	Prkaa2	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03662	Polygonatum odoratum	Polygonatum odoratum	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}