NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundGeranyl acetone
NPACT-IdNPACT00609
IUPAC(5E)-6,10-dimethylundeca-5,9-dien-2-one
SynonymsDihydropseudoionone; trans-Geranylacetone; Geranyl-2-propanone
PubChem Id1549778
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHNZUNIKWNYHEJJ-FMIVXFBMSA-N
InChi1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
SMILESO=C(CC/C=C(/CCC=C(C)C)C)C
SMART[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C([H])([H])C(=O)C([H])([H])[H])C([H])([H])[H]
CAS No.689-67-8
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Angene International, ChemExper Chemical Directory, ChemMol, Hangzhou Trylead Chemical Technology, IS Chemical Technology, MolPort, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Vitas-M Laboratory, ZINC, 
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.