| Compound | Citronellyl propionate |
| NPACT-Id | NPACT00433 |
| IUPAC | (2S)-3-[2-[(1S,2R,4aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one |
| Synonyms | Citronellyl propanoate; 3,7-Dimethyl-6-octen-1-yl propionate; 3,7-Dimethyl-6-octen-1-ol propanoate; 3,7-Dimethyl-6-octen-1-yl propanoate; (1)-3,7-Dimethyloct-6-enyl propionate; Methyl diphenylphosphite; (+)-3,7-Dimethyloct-6-enyl propionate; (S)-3,7-DIMETHYLOCT-6-ENYL PROPIONATE |
| PubChem Id | 8834 |
| 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 | POPNTVRHTZDEBW-UHFFFAOYSA-N |
| InChi | 1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3 |
| SMILES | O(CC[C@@H](CCC=C(C)C)C)C(=O)CC |
|
SMART | [H]C(=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])OC(=O)C([H])([H])C([H])([H])[H] |
| CAS No. | 141-14-0 |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | - |
| CTD | - |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | AAA Chemistry, ABI Chem, ChemFrog, ChemMol, MP Biomedicals, Sigma-Aldrich, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |