NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CompoundMenthone
NPACT-IdNPACT00768
IUPAC5-methyl-2-propan-2-ylcyclohexan-1-one
SynonymsIsomenthone;cis-Menthone;d,l-Isomenthone;2-Isopropyl-5-methylcyclohexanone;p-Menthan-3-one, cis-;p-Menthan-3-one;p-Menthan-3-one, trans-;(1)-Isomenthone;.alpha.-isomenthone
PubChem Id6986
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNFLGAXVYCFJBMK-UHFFFAOYSA-N
InChi1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3
SMILESO=C1[C@H](CC[C@@H](C1)C)C(C)C
SMART[H]C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]1([H])C(=O)C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H]
CAS No.491-07-6
Structure
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Cross Refrence in other databases
Super Natural   014073973
CTD   C019466
HIT   C0123
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Ambinter, ChemExper Chemical Directory, Chemical Synthesis Database, ChemMol, IS Chemical Technology, Jamson Pharmachem Technology, MolPort, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Vitas-M Laboratory, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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