NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundOleanolic acid 3-O-{O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranoside}
NPACT-IdNPACT00832
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIBAJNOZMACNWJD-HEZOJXBISA-N
InChi1S/C41H66O11/c1-21-28(43)30(45)31(46)33(50-21)52-32-29(44)24(42)20-49-34(32)51-27-12-13-38(6)25(37(27,4)5)11-14-40(8)26(38)10-9-22-23-19-36(2,3)15-17-41(23,35(47)48)18-16-39(22,40)7/h9,21,23-34,42-46H,10-20H2,1-8H3,(H,47,48)/t21-,23-,24-,25-,26+,27-,28-,2
SMILESC1C[C@@H](C([C@H]2[C@@]1([C@@H]1[C@](CC2)([C@]2(C(=CC1)[C@H]1[C@](CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O
SMART[H][C@@]12C[C@]([#6])([#6])CC[C@]1(CC[C@]1([#6])C2=CC[C@]2([H])[C@]3([#6])CC[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O[C@H]4O[C@@H]([#6])[C@H](O)[C@@H](O)[C@H]4O)[C@@]([#6])([#6])[C@]3([H])CC[C@]12[#6])C(O)=O
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.