acompound

Showing entry for Eupatoriopicrin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045011
Compound Name	Eupatoriopicrin
Structure
Formula	C20H26O6
InchiKey	VWJYWGYJIDQUEG-UWRPYMCXSA-N
SMILES	OC/C=C(/C(=O)O[C@@H]1C/C(=C\CC/C(=C/[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)/C)\CO
Inchi	InChI=1S/C20H26O6/c1-12-5-4-6-13(2)10-17(26-20(24)15(11-22)7-8-21)18-14(3)19(23)25-16(18)9-12/h6-7,9,16-18,21-22H,3-5,8,10-11H2,1-2H3/b12-9+,13-6-,15-7+/t16-,17-,18+/m1/s1
IUPAC	[(3aR,4R,6Z,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
Molecular Weight	362.17
Pubchem Id	6917047
Chembl Id	CHEMBL221283

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

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
reviewed	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed		murA	-	32700	-	-
reviewed	BXGT020625	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed		murA	-	19800	-	-

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
P0A749	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	Activity	-	-	-
P0A749	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	IC50	'='	32700	nM
Q9HVW7	BXGT020625	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	IC50	'='	19800	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05070	Asteraceae	Asteraceae	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}