NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundNeryl acetate
NPACT-IdNPACT00814
IUPAC[(2Z)-3,7-dimethylocta-2,6-dienyl] acetate
SynonymsNerol acetate; cis-3,7-Dimethyl-2,6-octadien-1-yl acetate; 3,7-Dimethyl-2Z,6-octadienyl acetate;geraniol acetate
PubChem Id1549025
ClassTerpenoids
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHIGQPQRQIQDZMP-FLIBITNWSA-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.141-12-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, Jamson Pharmachem Technology, 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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