NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundOleanolic acid 3-O-alpha-L-rhamnopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranoside
NPACT-IdNPACT00835
IUPAC-
Synonyms-
PubChem Id-
ClassSaponin
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy Yes
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKLSIGSIPYVXHIW-VGZKMEDRSA-N
InChi1S/C46H74O16/c1-21-23-10-13-45(7)29(9-8-24-25-18-42(3,4)14-16-46(25,41(55)56)17-15-44(24,45)6)43(23,5)12-11-26(21)59-40-37(62-36-30(48)22(2)58-38(54)35(36)53)32(50)28(20-57-40)61-39-34(52)33(51)31(49)27(19-47)60-39/h8,21-23,25-40,47-54H,9-20H2,1-7H3,(H,55
SMILESC1C[C@@H]([C@@H]([C@H]2[C@]1([C@H]1[C@@](CC2)([C@]2(C(=CC1)[C@@H]1[C@](CC2)(C(=O)O)CCC(C1)(C)C)C)C)C)C)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[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
SMART[H][C@]1([#6])[C@H](CC[C@@]2([#6])[C@H]1CC[C@]1([#6])[C@H]2CC=C2[C@H]3C[C@@]([#6])([#6])CC[C@@]3(CC[C@@]12[#6])C(O)=O)O[C@@H]1OC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1[C@@H](O)[C@H]([#6])O[C@@H](O)[C@H]1O
CAS No.-
Structure
Download

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.