NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundEichlerialactone
NPACT-IdNPACT00519
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 KeyLEKUPXHLKIIVCR-QIICUCRQSA-N
InChi1S/C27H42O4/c1-17(2)18-9-15-26(5)21(24(18,3)13-11-22(28)29)8-7-19-20(10-14-25(19,26)4)27(6)16-12-23(30)31-27/h18-21H,1,7-16H2,2-6H3,(H,28,29)/t18-,19-,20+,21-,24+,25-,26-,27+/m1/s1
SMILESC(CC(=O)O)[C@]1([C@@H](C(=C)C)CC[C@@]2([C@@H]1CC[C@@H]1[C@H](CC[C@@]21C)[C@@]1(CCC(=O)O1)C)C)C
SMART[#6]C(=C)[C@H]1CC[C@]2([#6])[C@H](CC[C@@H]3[C@H](CC[C@@]23[#6])[C@]2([#6])CCC(=O)O2)[C@@]1([#6])CCC(O)=O
CAS No.37500
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   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.