NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CompoundOcimene
NPACT-IdNPACT00823
IUPAC(3E)-3,7-dimethylocta-1,3,6-triene
Synonymsp-Ocimene
PubChem Id5281553
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyIHPKGUQCSIINRJ-CSKARUKUSA-N
InChi1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
SMILESC(C=C(C)C)/C=C(C)/C=C
SMART[#6]C([#6])=CCC=C(/[#6])C=C
CAS No.13877-91-3
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Chemical Synthesis Database, ChemMol, IS Chemical Technology, Sigma-Aldrich, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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