NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundHolacurtine
NPACT-IdNPACT01228
IUPAC-
Synonyms-
PubChem Id10390928
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVPLNNEMLBWLRFQ-LRGQOBMHSA-N
InChi1S/C29H49NO5/c1-17(31)21-11-14-29(32)23-8-7-19-15-20(9-12-27(19,3)22(23)10-13-28(21,29)4)35-25-16-24(33-6)26(30-5)18(2)34-25/h18-26,30,32H,7-16H2,1-6H3/t18-,19+,20+,21-,22+,23-,24+,25+,26-,27+,28-,29+/m1/s1
SMILESO[C@@]12[C@H]3[C@@H]([C@@]4([C@@H](CC3)C[C@@H](O[C@@H]3O[C@@H]([C@@H](NC)[C@@H](OC)C3)C)CC4)C)CC[C@@]1([C@H](CC2)C(=O)C)C
SMART[H]O[C@]12C([H])([H])C([H])([H])[C@]([H])(C(=O)C([H])([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1([H])[C@@]2([H])C([H])([H])C([H])([H])[C@@]2([H])C([H])([H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(N([H])C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])C3([H])[H])C([H])([H])C([H])([H])[C@]12C([H])([H])[H]
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   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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