NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
Compoundbornyl acetate
NPACT-IdNPACT01150
IUPAC-
SynonymsBorneol, acetate;endo-bornyl acetate;Bornyl acetic ether;2-Camphanol acetate;2-Camphanyl acetate;Bornyl ethanoate;1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate;endo-2-Camphanyl ethanoate;Isobornyl acetate;1,7,7-Trimethylbicyclo(2.2.1)heptan-2-ol acetate;endo-1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl acetate;
PubChem Id6448
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKGEKLUUHTZCSIP-UHFFFAOYSA-N
InChi1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3
SMILESO(C1C2(C(C(C1)CC2)(C)C)C)C(=O)C
SMART[H]C([H])([H])C(=O)O[C@]1([H])C([H])([H])[C@]2([H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])[C@]2(C([H])([H])[H])C([H])([H])[H]
CAS No.76-49-3
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C071528
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, AKos Consulting & Solutions, Ambinter, Angene International, ChemExper Chemical Directory, ChemFrog, ChemMol, IS Chemical Technology, Jamson Pharmachem Technology, Kingston Chemistry, MolPort, MP Biomedicals, Sigma-Aldrich, Tractus, Vitas-M Laboratory, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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