NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGiganteosides D
NPACT-IdNPACT00615
IUPAC-
Synonyms-
PubChem Id-
ClassSaponin
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYMJMQWQNJCIZQW-SDVPJEPYSA-N
InChi1S/C41H66O11/c1-21-28(43)30(45)32(52-33-31(46)29(44)24(42)20-49-33)34(50-21)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
SMILESC1CC(C(C2C1(C1C(CC2)([C@@]2(C(=CC1)[C@@H]1C(CC2)(CCC(C1)(C)C)C(=O)O)C)C)C)(C)C)OC1OC(C)C(C(C1OC1OCC(O)C(C1O)O)O)O
SMART[H][C@]12C[C@@]([#6])([#6])CC[C@@]1(CC[C@@]1([#6])C2=CC[C@@H]2[C@@]3([#6])CC[C@@H](O[C@H]4O[C@@H]([#6])[C@H](O)[C@@H](O)[C@@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@@]([#6])([#6])[C@@H]3CC[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.