NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCauloside D
NPACT-IdNPACT00406
IUPAC-
Synonyms-
PubChem Id21630094
ClassTerpenoids
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUEHILKCNLIKLEV-LXABABOZSA-N
InChi1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-5
SMILESO([C@@H]1[C@]([C@H]2[C@@]([C@@H]3[C@]([C@]4(C(=CC3)[C@H]3[C@@](CC4)(CCC(C3)(C)C)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H]([C@H](O)[C@@H](O)[C@H]4O)C)[C@H](O)[C@H]3O)CO)C)(CC2)C)(CC1)C)(CO)C)[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O
SMART[#6][C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CC[C@]([#6])([#6])C[C@H]4C4=CC[C@@H]6[C@@]7([#6])CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@]([#6])(CO)[C@@H]7CC[C@@]6([#6])[C@]4([#6])CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[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.