NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundMethyl linoleate
NPACT-IdNPACT00773
IUPACmethyl (9Z,12Z)-octadeca-9,12-dienoate
SynonymsLinoleic acid, methyl ester;Methyl octadecadienoate;Methyl linoleate, native
PubChem Id5284421
ClassAliphatic natural products
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWTTJVINHCBCLGX-NQLNTKRDSA-N
InChi1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
SMILESO(C(=O)CCCCCCC/C=CC/C=CCCCCC)C
SMART[H]C(=C(/[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])[H]
CAS No.112-63-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C005575
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Ambinter, Chemical Synthesis Database, Sigma-Aldrich, TCI (Tokyo Chemical Industry), ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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