acompound

Showing entry for (S)-5,7,7'-Trihydroxy-8-(3-Hydroxy-3-Methylbutyl)-2',2'-Dimethyl-2,6'-Bichroman-4-One

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0039761
Compound Name	(S)-5,7,7'-Trihydroxy-8-(3-Hydroxy-3-Methylbutyl)-2',2'-Dimethyl-2,6'-Bichroman-4-One
Structure
Formula	C25H28O7
InchiKey	YRFONVUVHGLFMJ-NRFANRHFSA-N
SMILES	Oc1cc2OC(C)(C)C=Cc2cc1[C@@H]1CC(=O)c2c(O1)c(CCC(O)(C)C)c(cc2O)O
Inchi	InChI=1S/C25H28O7/c1-24(2,30)7-6-14-16(26)10-18(28)22-19(29)12-21(31-23(14)22)15-9-13-5-8-25(3,4)32-20(13)11-17(15)27/h5,8-11,21,26-28,30H,6-7,12H2,1-4H3/t21-/m0/s1
IUPAC	(2S)-5,7-dihydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-8-(3-hydroxy-3-methylbutyl)-2,3-dihydrochromen-4-one
Molecular Weight	440.18
Pubchem Id	44419447
Chembl Id	CHEMBL218550

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	BXGT009855	Sterol O-acyltransferase 1	reviewed	Enzyme	SOAT1	-	59200	-	-
reviewed	BXGT005162	Sterol O-acyltransferase 2	reviewed	Enzyme	SOAT2	-	44800	-	-

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
P35610	BXGT009855	Sterol O-acyltransferase 1	reviewed	Enzyme	SOAT1	IC50	'='	59200	nM
O75908	BXGT005162	Sterol O-acyltransferase 2	reviewed	Enzyme	SOAT2	IC50	'='	44800	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04967	Cudrania tricuspidata	Cudrania tricuspidata	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}