NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundPhysostigmine
NPACT-IdNPACT00867
IUPAC-
SynonymsEserine, Antilirium, Physostol, Esromiotin, Ezerin, Calabarine, Erserine, Fysostigmin, (-)-physostigmine
PubChem Id5983
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyPIJVFDBKTWXHHD-HIFRSBDPSA-N
InChi1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
SMILESO(c1cc2[C@]3([C@H](N(CC3)C)N(c2cc1)C)C)C(=O)NC
SMART[#6]NC(=O)OC1=CC2=C(C=C1)N([#6])[C@H]1[N@]([#6])CC[C@@]21[#6]
CAS No.57-47-6?
Structure
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Cross Refrence in other databases
Super Natural   000057476
CTD   D010830
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, ChemMol, Hangzhou APIChem Technology, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Therapeutic Targets Database, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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