NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGeranic acid
NPACT-IdNPACT00606
IUPAC(2E)-3,7-dimethylocta-2,6-dienoic acid
SynonymsNerolic acid; Decaprenoic acid; Neric acid
PubChem Id5275520
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyZHYZQXUYZJNEHD-VQHVLOKHSA-N
InChi1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
SMILESOC(=O)/C=C(/CCC=C(C)C)C
SMART[H]OC(=O)C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
CAS No.459-80-3; 4698-08-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C043081
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, ChemExper Chemical Directory, FINETECH, MolPort, Sigma-Aldrich, 
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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