NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMichelenolide
NPACT-IdNPACT01266
IUPAC-
Synonyms-
PubChem Id442278
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZNURDDCKOFUOKI-NMAMFNKQSA-N
InChi1S/C15H20O4/c1-8-9-4-6-14(2)10(18-14)5-7-15(3)12(19-15)11(9)17-13(8)16/h9-12H,1,4-7H2,2-3H3/t9-,10+,11-,12+,14+,15+/m0/s1
SMILESO1[C@]2([C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC[C@]1(O[C@@H]1CC2)C)C
SMART[H]C([H])=C1/C(=O)O[C@]2([H])[C@@]3([H])O[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3([H])O[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]12[H]
CAS No.66392-96-9
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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.