NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-beta-O-[alpha-L-rhamnopyranosyl-(1->2)-alpha-L-arabinopyranosyl]olean-12-ene-28-O-[alpha-L-rhamnopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl] ester
NPACT-IdNPACT01552
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKNBLNBRZWKYWIC-HWMYNGRHSA-N
InChi1S/C59H96O26/c1-23-32(61)36(65)40(69)48(77-23)82-45-35(64)28(79-47(74)44(45)73)22-76-52-46(39(68)34(63)27(21-60)80-52)83-53(75)59-18-16-54(3,4)20-26(59)25-10-11-30-56(7)14-13-31(55(5,6)29(56)12-15-58(30,9)57(25,8)17-19-59)81-50-42(71)38(67)43(72)51(85-50)
SMILESC1C[C@@H](C(C2[C@]1(C1[C@@](CC2)([C@]2(C(=CC1)C1[C@@]([CH]C2)(CCC(C1)(C)C)C(=O)O[C@H]1[C@@H](O[C@H](CO)[C@@H]([C@H]1O)O)OC[C@H]1O[C@@H](O)[C@H](O)[C@H](OC2OC([C@H]([C@@H]([C@H]2O)O)O)C)[C@H]1O)C)C)C)(C)C)OC1OC([C@@H](O)[C@H]([C@@H]1O)O)O[C@H]1OC([C@@H]([C@H]([C@@H]1O)O)O)C
SMART[H]C1C[C@]2([#6])C(=CCC3[C@@]4([#6])CC[C@H](OC5OC(O[C@H]6OC([#6])[C@H](O)[C@@H](O)[C@@H]6O)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@]([#6])([#6])C4CC[C@@]23[#6])C2C[C@]([#6])([#6])CC[C@]12C(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](O)[C@H](O)[C@H](OC2OC([#6])[C@@H](O)[C@H](O)[C@H]2O)[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.