NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundMelissoidesin G
NPACT-IdNPACT01509
IUPAC-
Synonyms-
PubChem Id10342874
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJSXKRCUMUDUIGE-QOKUTAMTSA-N
InChi1S/C24H34O7/c1-11-14-9-15(27)18-23(6)8-7-16(30-12(2)25)22(4,5)19(23)17(31-13(3)26)21(29)24(18,10-14)20(11)28/h14-19,21,27,29H,1,7-10H2,2-6H3/t14-,15-,16-,17+,18-,19+,21-,23-,24-/m0/s1
SMILESO([C@@H]1[C@H]2[C@]([C@H]3[C@@]4([C@H]1O)C[C@@H](C[C@@H]3O)C(=C)C4=O)(CC[C@H](OC(=O)C)C2(C)C)C)C(=O)C
SMART[#6]C(=O)O[C@H]1CC[C@@]2([#6])[C@@H]3[C@@H](O)C[C@H]4C[C@@]3([C@@H](O)[C@H](OC([#6])=O)[C@@H]2C1([#6])[#6])C(=O)C4=C
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C524357
HIT   -
NCI-60 GI50 data   -
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

 






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