NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGeranyl butyrate
NPACT-IdNPACT00610
IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl] butanoate
SynonymsGeraniol butyrate; Butyric acid geranyl ester
PubChem Id5355856
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZSBOMYJPSRFZAL-JLHYYAGUSA-N
InChi1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
SMILESO(C/C=C(/CCC=C(C)C)C)C(=O)CCC
SMART[H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H]
CAS No.106-29-6
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Amadis Chemical, Sigma-Aldrich, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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