acompound

Showing entry for Combretic Acid B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0050482
Compound Name	Combretic Acid B
Structure
Formula	C32H50O6
InchiKey	PYMOVAUYBLDWHR-OFMKDZFSSA-N
SMILES	CC(=O)O[C@H]1C[C@H]2[C@](C)(C(=O)O)[C@@H](O)CC[C@@]32[C@]2([C@@H]1[C@]1(C)CC[C@@H]([C@@]1(C)CC2)[C@@H](CC[C@@H](C(=C)C)O)C)C3
Inchi	InChI=1S/C32H50O6/c1-18(2)22(34)9-8-19(3)21-10-12-29(6)26-23(38-20(4)33)16-24-30(7,27(36)37)25(35)11-13-31(24)17-32(26,31)15-14-28(21,29)5/h19,21-26,34-35H,1,8-17H2,2-7H3,(H,36,37)/t19-,21-,22+,23+,24+,25+,26+,28-,29+,30+,31-,32+/m1/s1
IUPAC
Molecular Weight	530.36
Pubchem Id	51041528
Chembl Id	CHEMBL1689267

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
O14763	BXGT004093	Tumor necrosis factor receptor superfamily member 10B	reviewed	-	TNFRSF10B	FC	'='	1	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04948	Combretum quadrangulare	Combretum quadrangulare	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}