NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-O-alpha-L-Rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl hederagenin 28-O-alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl ester
NPACT-IdNPACT00145
IUPAC-
Synonyms-
PubChem Id-
ClassSaponin
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJDKLFNQJKCLOAM-OKMVNUTJSA-N
InChi1S/C58H94O26/c1-23-32(62)35(65)38(68)47(77-23)81-43-28(20-59)78-48(41(71)37(43)67)82-49-39(69)36(66)40(70)50(83-49)84-52(74)58-17-15-53(3,4)19-26(58)25-9-10-30-54(5)13-12-31(55(6,22-60)29(54)11-14-57(30,8)56(25,7)16-18-58)79-51-45(34(64)27(61)21-75-51)80-
SMILESC1C[C@@H]([C@@]([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@](CC2)(C(=O)O[C@@H]2O[C@H]([C@H]([C@H]([C@@H]2O)O)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)C)CO)CCC(C1)(C)C)C)C)C)(C)CO)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O)C)O)O)O
SMART[#6][C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3([#6])[C@@H](CC[C@]4([#6])[C@H]3CC=C3[C@H]5C[C@@]([#6])([#6])CC[C@@]5(CC[C@@]43[#6])C(=O)O[C@@H]3O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H]([#6])[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)[C@]2([#6])CO)[C@H]1O
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.