Description
Acetylursolic acid,that can be isolated from the herbs of Ilex paraguariensis, has several biological activities such as antimalarial, cytotoxic, antitumor, anticancer and NO production inhibitory activities. It maybe a potential anti-cholinesterase agent. It was examined for inhibition against both acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes.
Synonyms
(1S,2R,6aS,6aS,6bR,8aS,12aS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid; (3β)-3-(Acetyloxy)-urs-12-en-28-oic acid; URSOLIC ACID ACETATE; (3beta)-3-(Acetyloxy)-urs-12-en-28-oic acid; 3-Acetylursolic acid; 3β-(Acetyloxy)urs-12-en-28-oic acid; Aids070315; Aids-070315
IUPAC Name
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Molecular Formula
C32H50O4
Canonical SMILES
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)C(=O)O
InChI
InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25+,26+,29+,30-,31-,32+/m1/s1
InChIKey
PHFUCJXOLZAQNH-OTMOLZNZSA-N
Application
Antimalarial/cytotoxic/antitumor/anticancer