acompound

Showing entry for Kobophenol A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0026524
Compound Name	Kobophenol A
Structure
Formula	C56H44O13
InchiKey	INNCSLAJOWLWJY-DTHXJHJPSA-N
SMILES	Oc1ccc(cc1)[C@H]1Oc2c([C@@H]1c1cc(O)c3c(c1)[C@@H](c1cc(O)cc(c1)O)[C@@H](O3)c1ccc(cc1)O)c(cc(c2)O)[C@H]1[C@@H](O[C@@H]([C@H]1c1cc(O)cc(c1)O)c1ccc(cc1)O)c1ccc(cc1)O
Inchi	InChI=1S/C56H44O13/c57-34-9-1-27(2-10-34)52-47(31-17-38(61)23-39(62)18-31)44-21-33(22-45(66)56(44)69-52)48-50-43(25-42(65)26-46(50)67-53(48)28-3-11-35(58)12-4-28)51-49(32-19-40(63)24-41(64)20-32)54(29-5-13-36(59)14-6-29)68-55(51)30-7-15-37(60)16-8-30/h1-2
IUPAC	5-[(2S,3R,4S,5R)-4-[(2S,3S)-3-[(2R,3R)-3-(3,5-dihydroxyphenyl)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]benzene-1,3-diol
Molecular Weight	924.28
Pubchem Id	44427222
Chembl Id	CHEMBL397488

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
P42574	BXGT010317	Caspase-3	reviewed	Enzyme	CASP3	Activity	-	-	-
P55211	BXGT011111	Caspase-9	reviewed	Enzyme	CASP9	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04758	Caragana sinica	Caragana sinica	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}