NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundJavanicolides C
NPACT-IdNPACT00689
IUPAC-
Synonyms-
PubChem Id11214625
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHGWAIHIPTWRNHL-QFWHAJIVSA-N
InChi1S/C26H36O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,11-14,16-21,27,29-31H,7-9H2,1-5H3/t11-,12-,13+,14+,16-,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
SMILESO1[C@]2([C@H]3[C@]4([C@@H]([C@@]5([C@@H](C[C@H]4OC(=O)[C@@H]3OC(=O)C=C(C)C)[C@@H]([C@H](O)[C@H](O)C5)C)C)[C@@H](O)[C@@H]2O)C1)C(=O)OC
SMART[#6]OC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C([#6])[#6])C(=O)O[C@@H]3C[C@H]1[C@H]([#6])[C@H](O)[C@H](O)C[C@]1([#6])[C@H]4[C@@H](O)[C@@H]2O
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.