Compound | Geranic acid |
NPACT-Id | NPACT00606 |
IUPAC | (2E)-3,7-dimethylocta-2,6-dienoic acid |
Synonyms | Nerolic acid; Decaprenoic acid; Neric acid |
PubChem Id | 5275520 |
Class | Terpenoids |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | ZHYZQXUYZJNEHD-VQHVLOKHSA-N |
InChi | 1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+ |
SMILES | OC(=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 Download |
|
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 Search | Human metabolite database | FDA approved drugs |