acompound

Showing entry for 8alpha-(2-Methylacryloyloxy)hirsutinolide 13-O-acetate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0042416
Compound Name	8alpha-(2-Methylacryloyloxy)hirsutinolide 13-O-acetate
Structure
Formula	C21H26O8
InchiKey	YKIDGUZXBGGNBZ-GUNZAYKBSA-N
SMILES	CC(=O)OCC1=C2[C@@H](OC(=O)C(=C)C)C[C@@H](C)[C@]3(O[C@](/C=C\2/OC1=O)(C)CC3)O
Inchi	InChI=1S/C21H26O8/c1-11(2)18(23)27-15-8-12(3)21(25)7-6-20(5,29-21)9-16-17(15)14(19(24)28-16)10-26-13(4)22/h9,12,15,25H,1,6-8,10H2,2-5H3/b16-9+/t12-,15+,20-,21+/m1/s1
IUPAC
Molecular Weight	406.16
Pubchem Id	70686496
Chembl Id	CHEMBL2062866

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
P42225	BXGT010287	Signal transducer and activator of transcription 1	reviewed	-	Stat1	Inhibition	-	-	-
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	Inhibition	-	-	-
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	Activity	-	-	-
P42227	BXGT010289	Signal transducer and activator of transcription 3	reviewed	-	Stat3	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05059	vernonia cinerea	vernonia cinerea	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}