acompound

Showing entry for withaferin A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0017845
Compound Name	withaferin A
Structure
Formula	C28H38O6
InchiKey	DBRXOUCRJQVYJQ-CKNDUULBSA-N
SMILES	OCC1=C(C)C[C@@H](OC1=O)[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]2[C@]3([C@]1(C)C(=O)C=C[C@@H]3O)O2)C
Inchi	InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
IUPAC
Molecular Weight	470.27
Pubchem Id	265237
Chembl Id	CHEMBL517080

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
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Activity	-	-	-
P31749	BXGT009574	RAC-alpha serine/threonine-protein kinase	reviewed	Kinase	AKT1	Activity	-	-	-
Q14145	BXGT013448	Kelch-like ECH-associated protein 1	reviewed	-	KEAP1	Activity	-	-	-
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Inhibition	'='	50	%
P27361	BXGT009176	Mitogen-activated protein kinase 3	reviewed	Kinase	MAPK3	Activity	-	-	-
P53778	BXGT011013	Mitogen-activated protein kinase 12	reviewed	Kinase	MAPK12	Activity	-	-	-
Q16539	BXGT013634	Mitogen-activated protein kinase 14	reviewed	Kinase	MAPK14	Activity	-	-	-
Q15759	BXGT013595	Mitogen-activated protein kinase 11	reviewed	Kinase	MAPK11	Activity	-	-	-
O15264	BXGT004144	Mitogen-activated protein kinase 13	reviewed	Kinase	MAPK13	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01920	Physalis longifolia	Physalis longifolia	Others

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}