NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCumingianoside R
NPACT-IdNPACT00461
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWEPAUCXFMVVCOR-JSRDXWKLSA-N
InChi1S/C36H60NO8/c1-21(17-24(39)30(43)32(4,5)44-8)23-11-16-36-20-35(23,36)15-12-25-33(6)14-13-27(40)31(2,3)26(33)18-28(34(25,36)7)45-37-22(19-38)9-10-29(41)42/h21-28,30,37,39-40,43H,9-18,20H2,1-8H3,(H,41,42)/t21-,22-,23+,24-,25+,26-,27-,28-,30+,33+,34+,35+,36
SMILESC1C[C@@H](C([C@H]2[C@]1([C@@H]1[C@]([C@H](C2)ON[C@@H](CCC(=O)O)C=O)([C@@]23[C@@](CC1)([C@H](CC2)[C@H](C[C@H](O)[C@H](C(C)(C)OC)O)C)C3)C)C)(C)C)O
SMART[#6]O[C@@]([#6])([#6])[C@H](O)[C@@H](O)C[C@H]([#6])[C@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2([#6])CC[C@H](O)[C@@]([#6])([#6])[C@@H]2C[C@H](ON[C@@H](CCC(O)=O)C=O)[C@]31[#6]
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.