NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundIsostrychnine
NPACT-IdNPACT00683
IUPAC-
Synonyms-
PubChem Id5318675
ClassAlkaloids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyPNYOGGAOQVIZDM-NTUHNPAUSA-N
InChi1S/C21H22N2O2/c24-10-7-13-12-22-9-8-21-16-3-1-2-4-17(16)23-19(25)6-5-14(20(21)23)15(13)11-18(21)22/h1-5,7,15,18,20,24H,6,8-12H2/b13-7+
SMILESO=C1N2[C@@H]3[C@@]4([C@H]5N(CC4)C/C(=CCO)/[C@H](C5)C3=CC1)c1c2cccc1
SMART[H]OC([H])([H])C([H])=C1/C([H])([H])[N@@]2C([H])([H])C([H])([H])[C@]34C5=C([H])C([H])=C([H])C([H])=C5N5C(=O)C([H])([H])C([H])=C([C@@]35[H])[C@@]1([H])C([H])([H])[C@]24[H]
CAS No.467-16-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   467-16-3
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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