NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundAsiatic acid
NPACT-IdNPACT00291
IUPAC(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
Synonyms-
PubChem Id119034
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsTP53 |   All | 
Properties Physical   Elemental  Topological
InChi KeyJXSVIVRDWWRQRT-UYDOISQJSA-N
InChi1S/C30H48O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,17-18,20-24,31-33H,8-16H2,1-6H3,(H,34,35)/t17-,18+,20-,21-,22-,23+,24+,26+,27+,28-,29-,30+/m1/s1
SMILESO[C@@H]1[C@]([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3)[C@H]3[C@@](CC4)(CC[C@H]([C@@H]3C)C)C(=O)O)C)(CC2)C)(C[C@H]1O)C)(CO)C
SMART[H]OC(=O)[C@]12C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])C1=C([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@](C([H])([H])[H])(C([H])([H])O[H])[C@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C2([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C017032
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Ambinter, ChemMol, Kingston Chemistry, MolPort, Selleck Chemicals, Therapeutic Targets Database, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
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