NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundTrichilin H
NPACT-IdNPACT00993
IUPAC-
Synonyms-
PubChem Id10032674
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZXYBAVNFURYQBW-VVDVDWROSA-N
InChi1S/C36H46O14/c1-15(2)30(43)49-31-32(6)21-12-22(40)34(8)26(35(21,14-45-31)27(42)25(46-16(3)37)29(32)48-18(5)39)24(41)28(47-17(4)38)33(7)20(19-9-10-44-13-19)11-23-36(33,34)50-23/h9-10,13,15,20-23,25-29,31,40,42H,11-12,14H2,1-8H3/t20-,21-,22+,23+,25+,26-,27-
SMILESO1[C@]23[C@]4([C@@H]([C@]56[C@@H](C[C@H]4O)[C@]([C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]5O)([C@@H](OC6)OC(=O)C(C)C)C)C(=O)[C@H](OC(=O)C)[C@]2([C@@H](C[C@H]13)c1ccoc1)C)C
SMART[#6][C@H]([#6])C(=O)O[C@@H]1OC[C@]23[C@@H](O)[C@@H](OC([#6])=O)[C@@H](OC([#6])=O)[C@@]1([#6])[C@@H]2C[C@@H](O)[C@]1([#6])[C@@H]3C(=O)[C@H](OC([#6])=O)[C@@]2([#6])[C@@H](C[C@@H]3O[C@]123)C1=COC=C1
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.