NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGeranyl acetate
NPACT-IdNPACT00608
IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl] acetate
SynonymsNeryl ethanoate; Neryl acetate
PubChem Id1549026
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHIGQPQRQIQDZMP-DHZHZOJOSA-N
InChi1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
SMILESO(C/C=C(/CCC=C(C)C)C)C(=O)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])OC(=O)C([H])([H])[H])C([H])([H])[H]
CAS No.105-87-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C432872
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, ChemExper Chemical Directory, IS Chemical Technology, Jamson Pharmachem Technology, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), 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

 






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