NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMyrcene
NPACT-IdNPACT00789
IUPAC7-methyl-3-methylideneocta-1,6-diene
SynonymsMYRCENE; beta-Myrcene; 7-Methyl-3-methylene-1,6-octadiene; 2-Methyl-6-methylene-2,7-octadiene; 3-Methylene-7-methyl-1,6-octadiene; 7-methyl-3-methylideneocta-1,6-diene; b-Myrcene; 7-methyl-3-methylidene-octa-1,6-diene
PubChem Id31253
ClassTerpenoids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUAHWPYUMFXYFJY-UHFFFAOYSA-N
InChi1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
SMILESC(CC(=C)C=C)C=C(C)C
SMART[H]C([H])=C([H])/C(=C(/[H])[H])/C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
CAS No.123-35-3
Structure
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Cross Refrence in other databases
Super Natural   000123353
CTD   C509595
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Amadis Chemical, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis Database, ChemMol, IS Chemical Technology, Jamson Pharmachem Technology, MP Biomedicals, R&D Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), 
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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