| Compound | Citronellal |
| NPACT-Id | NPACT00431 |
| IUPAC | 3,7-dimethyloct-6-en-1-ol |
| Synonyms | Rhodinal ;3,7-Dimethyl-6-octenal ;Citronellel ;3,7-dimethyl-6-Octenal ;beta-Citronellal ;2,3-Dihydrocitral ;Citronella ;3,7-Dimethyl-6-octen-1-al ;beta-Citronellal ;D-Rhodinal ;Rhodinal (VAN) ;Citronella (natural) ;3,7-Dimethyloct-6-enal ;(+/-)-3,7-Dimethyl-6-octenal ;6-Octenal,7-dimethyl ;3,7-dimethyl-oct-6-enal ;3,7-Dimethyl-6-octenal; 3,7-dimethyl-6-Octenal ;Poly((1,3a,4,6,7,7a-hexahydro-1,3-dioxo-3H-furo(3,4-c)pyran-4,6-diyl)(tetrahydro-2,5-dioxo-3,4-furandiyl)methylene);Poly((1,3a,4,6,7,7a-hexahydro-1,3-dioxo-3H-furo(3,4-c)pyran-4,6-diyl)(tetrahydro-2,5-dioxo-3,4-furandiyl)methylene) ;Poly[(1,4,6,7,7a-hexahydro-1,3-dioxo-3H-furo[3,4-c]pyran-4,6-diyl)(tetrahydro-2,5-dioxo-3,4-furandiyl)methylene] |
| PubChem Id | 7794 |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | NEHNMFOYXAPHSD-UHFFFAOYSA-N |
| InChi | 1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,8,10H,4,6-7H2,1-3H3 |
| SMILES | O=CC[C@@H](CCC=C(C)C)C |
|
SMART | [H]C(=O)C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 106-23-0 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | 000106230 |
| CTD | C108217 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, AKos Consulting & Solutions, Ambinter, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis Database, ChemMol, Hangzhou Trylead
Chemical Technology, IS Chemical Technology, Jamson Pharmachem Technology, MolPort, MP Biomedicals, Sigma-Aldrich, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | No |
| Veber filter | Yes |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |