acompound

Showing entry for Methyl Oleanolate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032802
Compound Name	Methyl Oleanolate
Structure
Formula	C31H50O3
InchiKey	BTXWOKJOAGWCSN-JBYJGCOVSA-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)CC[C@@H](C1(C)C)O)(C)C
Inchi	InChI=1S/C31H50O3/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/h9,21-24,32H,10-19H2,1-8H3/t21-,22-,23+,24-,28-,29+,30+,31-/m0/s1
IUPAC	methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular Weight	470.38
Pubchem Id	92900
Chembl Id	CHEMBL487412

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	BXGT005691	Carbonic anhydrase 2	reviewed		CA2	>10000	-	-	-
reviewed	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed		PTPN1	-	4440	-	-

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	'='	4440	nM
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	IC50	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	Inhibition	-	-	-
P00921	BXGT005691	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'>'	10000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00855	Nerium oleander	Nerium oleander	Medicinal Plant
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
BXGF01634	Ligustrum japonicus	Ligustrum japonicus	Others
BXGF01801	Bothriocline longipes	Bothriocline longipes	Medicinal Plant
BXGF02481	Prunella vulgaris	Prunella vulgaris	Medicinal Plant
BXGF02664	Ligustrum lucidum	Ligustrum lucidum	Medicinal Plant
BXGF02830	Amaranthus hybr	Amaranthus hybr	Medicinal Plant
BXGF03522	Euptelea polyandra	Euptelea polyandra	Medicinal Plant
BXGF04578	Metzgeria pubescens	Metzgeria pubescens	Others
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF06054	Angelica japonica	Angelica 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}