acompound

Showing entry for kaempferol-3-O-(2,3-di-O-acetyl-alpha-l-rhamnopyranoside)

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0046589
Compound Name	kaempferol-3-O-(2,3-di-O-acetyl-alpha-l-rhamnopyranoside)
Structure
Formula	C25H24O12
InchiKey	BHCRVKVXJRBQJR-YPDHAKIYSA-N
SMILES	CC(=O)O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1OC(=O)C)O)C)Oc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(cc1)O
Inchi	InChI=1S/C25H24O12/c1-10-19(31)22(34-11(2)26)24(35-12(3)27)25(33-10)37-23-20(32)18-16(30)8-15(29)9-17(18)36-21(23)13-4-6-14(28)7-5-13/h4-10,19,22,24-25,28-31H,1-3H3/t10-,19-,22+,24+,25-/m0/s1
IUPAC	[(2S,3R,4R,5S,6S)-3-acetyloxy-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-5-hydroxy-6-methyloxan-4-yl] acetate
Molecular Weight	516.13
Pubchem Id	11203112
Chembl Id	CHEMBL469851

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'='	55800	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	'>'	100000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01382	Zingiber aromaticum	Zingiber aromaticum	Medicinal Plant
BXGF05071	Zingiber spectabile	Zingiber spectabile	Human Edible 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}