NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundRicin
NPACT-IdNPACT00920
IUPAC-
Synonyms-
PubChem Id11970183
ClassAminoacids and peptides
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyPDIUEUBWQHNTIE-WGMRWGPCSA-N
InChi1S/C22H34O8/c1-9(23)29-17-15(25)21-8-19(4,26)10(14(21)24)6-7-11(21)20(5,27)13-12-16(30-12)18(2,3)22(13,17)28/h10-17,24-28H,6-8H2,1-5H3/t10?,11-,12-,13-,14+,15+,16-,17+,19+,20+,21+,22-/m0/s1
SMILESO1[C@H]2[C@@H]3[C@@](O)(C([C@@H]12)(C)C)[C@H](OC(=O)C)[C@@H](O)[C@]12[C@H]([C@]3(O)C)CC[C@H]([C@H]1O)[C@](O)(C2)C
SMART[H]O[C@]1([H])[C@@]2([H])C([H])([H])C([H])([H])[C@]3([H])[C@@]1(C([H])([H])[C@]2(O[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@@]1(O[H])[C@@]([H])([C@]2([H])O[C@]2([H])[C@]1(C([H])([H])[H])C([H])([H])[H])[C@@]3(O[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   C0393
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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