acompound

Showing entry for Acetic acid oleana-9(11),12-diene-3beta-yl ester

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0017923
Compound Name	Acetic acid oleana-9(11),12-diene-3beta-yl ester
Structure
Formula	C32H50O2
InchiKey	CRTYUOWLXGQWPS-ROMLAASOSA-N
SMILES	CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1(C2=CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C)C)C
Inchi	InChI=1S/C32H50O2/c1-21(33)34-26-13-14-30(7)24(28(26,4)5)12-15-32(9)25(30)11-10-22-23-20-27(2,3)16-17-29(23,6)18-19-31(22,32)8/h10-11,23-24,26H,12-20H2,1-9H3/t23-,24-,26-,29+,30-,31+,32+/m0/s1
IUPAC	[(3S,4aR,6aS,6bR,8aR,12aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a-dodecahydropicen-3-yl] acetate
Molecular Weight	466.38
Pubchem Id	13988564
Chembl Id	CHEMBL3359357

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01040	Euphorbia sancta	Euphorbia sancta	Others
BXGF01156	Senecio madagascariensis	Senecio madagascariensis	Human Edible Plant
BXGF01243	Asphodeline tenuior	Asphodeline tenuior	Others
BXGF01277	Glycyrrhiza triphylla	Glycyrrhiza triphylla	Others
BXGF01553	Iris hoogiana	Iris hoogiana	Others
BXGF01801	Bothriocline longipes	Bothriocline longipes	Medicinal Plant
BXGF02217	Euphorbia fischeriana	Euphorbia fischeriana	Medicinal Plant
BXGF02830	Amaranthus hybr	Amaranthus hybr	Medicinal Plant
BXGF04578	Metzgeria pubescens	Metzgeria pubescens	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}