acompound

Showing entry for Maslinic Acid Methyl Ester

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0017345
Compound Name	Maslinic Acid Methyl Ester
Structure
Formula	C31H50O4
InchiKey	OTDUGESKRJHFHR-SUXCAEKLSA-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)C[C@H]([C@@H](C1(C)C)O)O)(C)C
Inchi	InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,28-,29+,30+,31-/m0/s1
IUPAC	methyl (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-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	486.37
Pubchem Id	13653327
Chembl Id	CHEMBL202346

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	>25000	-	-	-
reviewed	BXGT005553	Glycogen phosphorylase, muscle form	reviewed		PYGM	-	393000	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	>50000	-	-	-
reviewed	BXGT004559	Acetylcholinesterase	reviewed		ache	>50000	-	-	-

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Ki	'>'	50000	nM
P80365	BXGT011895	Corticosteroid 11-beta-dehydrogenase isozyme 2	reviewed	Enzyme	HSD11B2	Activity	-	-	-
P28845	BXGT009297	Corticosteroid 11-beta-dehydrogenase isozyme 1	reviewed	-	HSD11B1	IC50	-	-	-
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	393000	nM
P00921	BXGT005691	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'>'	25000	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Ki	'>'	50000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF01469	Pseudoscleropodium purum	Pseudoscleropodium purum	Others
BXGF01583	Teucrium nuchense	Teucrium nuchense	Others
BXGF01663	Sorbus domestica	Sorbus domestica	Medicinal Plant
BXGF01898	Acacia acuminata	Acacia acuminata	Human Edible Plant
BXGF02370	Epimedium pubescens	Epimedium pubescens	Medicinal Plant
BXGF03522	Euptelea polyandra	Euptelea polyandra	Medicinal Plant
BXGF05614	Frasera caroliniensis	Frasera caroliniensis	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}