acompound

Showing entry for (3S,5R,6S,7E)-5,6-Epoxy-3-hydroxy-7-megastigmen-9-one

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025036
Compound Name	(3S,5R,6S,7E)-5,6-Epoxy-3-hydroxy-7-megastigmen-9-one
Structure
Formula	C13H20O3
InchiKey	VYKLRWGPNUVKNC-IRIVYCKASA-N
SMILES	CC(=O)/C=C/[C@]12O[C@]2(C)C[C@H](CC1(C)C)O
Inchi	InChI=1S/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,10,15H,7-8H2,1-4H3/b6-5+/t10-,12+,13-/m0/s1
IUPAC	(E)-4-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]but-3-en-2-one
Molecular Weight	224.14
Pubchem Id	14605580
Chembl Id	CHEMBL2392397

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
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	-	-	-
P00591	BXGT005592	Pancreatic triacylglycerol lipase	reviewed	-	PNLIP	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00369	Sacred lotus	Nelumbo nucifera	Vegetables
BXGF02551	Inula britannica	Inula britannica	Medicinal Plant
BXGF06156	Inula japonica	Inula japonica	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}