NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundJavanicolides D
NPACT-IdNPACT00690
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHLNXIPPXPXNDKU-VBEWWIEBSA-N
InChi1S/C28H40O12/c1-11-7-14(29)21(32)26(5)13(11)9-15-27-10-38-28(24(35)37-6,22(33)17(31)19(26)27)20(27)18(23(34)39-15)40-16(30)8-12(2)25(3,4)36/h8,11,13-15,17-22,29,31-33,36H,7,9-10H2,1-6H3/b12-8+/t11-,13+,14+,15+,17-,18-,19-,20+,21-,22+,26+,27-,28+/m1/s1
SMILES[C@H]1([C@H](C[C@H]([C@H]2[C@]1([C@@H]1[C@@]34[C@H](C2)OC(=O)[C@@H]([C@@H]3[C@]([C@H]([C@@H]1O)O)(C(=O)OC)OC4)OC(=O)/C=C(C)/C(C)(C)O)C)C)O)O
SMART[#6]OC(=O)[C@@]12OC[C@@]34[C@H](C[C@H]5[C@H]([#6])C[C@H](O)[C@@H](O)[C@]5([#6])[C@H]3[C@@H](O)[C@@H]1O)OC(=O)[C@H](OC(=O)C=C(/[#6])[C@@]([#6])([#6])O)[C@H]24
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.