acompound

Showing entry for Methyl 3-Oxo-Olean-12-En-28-Oate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035686
Compound Name	Methyl 3-Oxo-Olean-12-En-28-Oate
Structure
Formula	C31H48O3
InchiKey	PPMUFCXCVKVCSV-VNNAKPRGSA-N
SMILES	COC(=O)[C@@]12CCC(C[C@H]2C2=CC[C@H]3[C@@]([C@@]2(CC1)C)(C)CC[C@@H]1[C@]3(C)CCC(=O)C1(C)C)(C)C
Inchi	InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3/t21-,22-,23+,28-,29+,30+,31-/m0/s1
IUPAC	methyl (4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
Molecular Weight	468.36
Pubchem Id	10695622
Chembl Id	CHEMBL1631518

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
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	'='	1	%
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	EC50	'>'	25000	nM
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	IC50	'>'	25000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01439	Xylosalsola richteri	Xylosalsola richteri	Others
BXGF01651	Pedicularis plicata	Pedicularis plicata	Others
BXGF01735	Sonchus gummifer	Sonchus gummifer	Others
BXGF02020	Stephania hispidula	Stephania hispidula	Others
BXGF02168	Micranthes stellaris	Micranthes stellaris	Others
BXGF02304	Rabdosia flexicaulis	Rabdosia flexicaulis	Others
BXGF02355	Baccharis sarothroides	Baccharis sarothroides	Others
BXGF02458	Ipomoea hederacea	Ipomoea hederacea	Medicinal Plant
BXGF02535	Andropogon laniger	Andropogon laniger	Medicinal Plant
BXGF02705	Capparis flavicans	Capparis flavicans	Human Edible Plant
BXGF02743	Malus sieboldii	Malus sieboldii	Medicinal Plant
BXGF02835	Oxytropis pseudoglandulosa	Oxytropis pseudoglandulosa	Others
BXGF04988	Xyris semifuscata	Xyris semifuscata	Others
BXGF05998	Vaccaria hispanica	Vaccaria hispanica	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}