NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPulegone
NPACT-IdNPACT01303
IUPAC-
Synonymsp-Menth-4(8)-en-3-one;4(8)-p-Menthen-3-one;(+-)-Pulegone;.beta.-Pulegone;5-Methyl-2-(1-methylethylidene)cyclohexanone;2-Isopropylidene-5-methylcyclohexanone;Cyclohexanone, 5-methyl-2-(1-methylethylidene)-;d-p-Menth-4(8)-en-3-one;1-Isopropylidene-4-methyl-2-cyclohexanone;1-Methyl-4-isopropylidene-3-cyclohexanone;5-Methyl-2-isopropylidenecyclohexanone;Cyclohexanone, 5-methyl-2-(1-methylethylidene)-, (R)-;3-Methyl-6-isopropylidenecyclohexanone;(R)-(+)-Pulegone;5-methyl-2-propan-2-ylidenecyclohexan-1-one;(+)-1-Methyl-4-isopropylidene-3-cyclohexanone;p-MENTH-4(8)-EN-3-ONE, (R)-(+)-;
PubChem Id6988
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNZGWDASTMWDZIW-UHFFFAOYSA-N
InChi1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3
SMILESO=C1CC(CCC1=C(C)C)C
SMART[H]C([H])([H])C(=C1C(=O)C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H]
CAS No.89-82-7
Structure
Download

Cross Refrence in other databases
Super Natural   000089827
CTD   C039648
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Ambinter, ChemFrog, Chemical Synthesis Database, ChemMol, IS Chemical Technology, TCI (Tokyo Chemical Industry), Tractus, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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