NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundterpinolene
NPACT-IdNPACT01349
IUPAC-
SynonymsIsoterpinene;Terpinolen;alpha-Terpinolene;p-Mentha-1,4(8)-diene;1,4(8)-p-Menthadiene;Tereben;4-Isopropylidene-1-methylcyclohexene;Nofmer TP;.gamma.-Terpinolene;p-Menth-1,4(8)-diene;1-Methyl-4-(1-methylethylidene)cyclohexene;1,4(8)-Terpadiene;Cyclohexene, 1-methyl-4-(1-methylethylidene)-;
PubChem Id11463
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsAKT1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyMOYAFQVGZZPNRA-UHFFFAOYSA-N
InChi1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
SMILESC1C(=C(C)C)CC=C(C1)C
SMART[H]C1=C(C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/C([H])([H])[H])C([H])([H])[H])C1([H])[H]
CAS No.586-62-9
Structure
Download

Cross Refrence in other databases
Super Natural   000586629
CTD   C027009
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Angene International, ChemFrog, ChemMol, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), 
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.