acompound

Showing entry for 4alpha-Hydroperoxy-5-enovatodiolide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028435
Compound Name	4alpha-Hydroperoxy-5-enovatodiolide
Structure
Formula	C20H24O6
InchiKey	WSXLFQQZQWNCIS-OPOAMCISSA-N
SMILES	OO[C@]1(C)/C=C/CC2=C[C@H](OC2=O)C/C(=C/[C@H]2[C@H](CC1)C(=C)C(=O)O2)/C
Inchi	InChI=1S/C20H24O6/c1-12-9-15-11-14(19(22)24-15)5-4-7-20(3,26-23)8-6-16-13(2)18(21)25-17(16)10-12/h4,7,10-11,15-17,23H,2,5-6,8-9H2,1,3H3/b7-4+,12-10+/t15-,16-,17+,20-/m1/s1
IUPAC
Molecular Weight	360.16
Pubchem Id	24970923
Chembl Id	CHEMBL512307

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
P08151	BXGT006731	Zinc finger protein GLI1	reviewed	-	GLI1	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02072	Ozothamnus obcordatus	Ozothamnus obcordatus	Others
BXGF02253	Quercus pedunculata	Quercus pedunculata	Others
BXGF02484	Danae racemosa	Danae racemosa	Others
BXGF02891	Isodon sculponeatus	Isodon sculponeatus	Others
BXGF02949	Xylosalsola arbuscula	Xylosalsola arbuscula	Others
BXGF03019	Melampodium argophyllum	Melampodium argophyllum	Others
BXGF03060	Arctotheca calendula	Arctotheca calendula	Human Edible Plant
BXGF03085	Elaeagnus orientalis	Elaeagnus orientalis	Medicinal Plant
BXGF03097	Psydrax livida	Psydrax livida	Human Edible Plant
BXGF03200	Daphniphyllum calycinum	Daphniphyllum calycinum	Medicinal Plant
BXGF03276	Crotalaria laburnifolia	Crotalaria laburnifolia	Medicinal Plant
BXGF05056	Artocarpus communis	Artocarpus communis	Others
BXGF06261	Anisomeles indica	Anisomeles indica	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}