acompound

Showing entry for 2,3-Diacetyl Maslinic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0039651
Compound Name	2,3-Diacetyl Maslinic Acid
Structure
Formula	C34H52O6
InchiKey	BZDICYRSPZNHNV-LULZRBEKSA-N
SMILES	CC(=O)O[C@@H]1C[C@@]2(C)[C@H](C([C@H]1OC(=O)C)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C
Inchi	InChI=1S/C34H52O6/c1-20(35)39-24-19-31(7)25(30(5,6)27(24)40-21(2)36)12-13-33(9)26(31)11-10-22-23-18-29(3,4)14-16-34(23,28(37)38)17-15-32(22,33)8/h10,23-27H,11-19H2,1-9H3,(H,37,38)/t23-,24+,25-,26+,27-,31-,32+,33+,34-/m0/s1
IUPAC	(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-diacetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight	556.38
Pubchem Id	14010966
Chembl Id	CHEMBL508614

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	BXGT004559	Acetylcholinesterase	reviewed		ache	>10000	-	-	-
reviewed	BXGT011959	Cholinesterase	reviewed		BCHE	>10000	-	-	-
reviewed	BXGT005553	Glycogen phosphorylase, muscle form	reviewed		PYGM	-	13300	-	-

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
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	13300	nM
P00489	BXGT005553	Glycogen phosphorylase, muscle form	reviewed	-	PYGM	IC50	'='	13182	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Ki	'>'	10000	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Ki	'>'	10000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03522	Euptelea polyandra	Euptelea polyandra	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}