(2Z,6E)-Farnesal
PubChem CID: 5365890
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| Compound Synonyms | (2Z,6E)-Farnesal, (Z,E)-Farnesal, cis,trans-Farnesal, 2-cis-6-trans-Farnesal, Farnesal, (2Z,6E)-, 4380-32-9, 2E,6Z-farnesal, UNII-W294Y02P00, FEMA No. 4019, (2Z,6E)-, 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (Z,E)-, W294Y02P00, 2,6,10-Dodecatrienal, 3,7,11-trimethyl-, (2Z,6E)-, (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienal, 3,7,11-trimethyldodeca-2Z,6E,10-trienal, cis-farnesal, Z,E-Farnesal, cis, trans-Farnesal, (2-cis,6-trans)-farnesal, SCHEMBL1301128, CHEBI:35968, LMPR0103010007, (2Z,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienal, Q27116654 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Farnesane sesquiterpenoids |
| Deep Smiles | O=C/C=CCC/C=C/CCC=CC)C)))))C)))))/C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Sesquiterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienal |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H24O |
| Inchi Key | YHRUHBBTQZKMEX-PVMFERMNSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 7.0 |
| Synonyms | (2e,6z)-farnesal, (2z,6e)-farnesal, (z,e)-farnesal, 2e,6z-farnesal |
| Esol Class | Soluble |
| Functional Groups | C/C(C)=CC=O, C/C=C(/C)C, CC=C(C)C |
| Compound Name | (2Z,6E)-Farnesal |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11- |
| Smiles | CC(=CCC/C(=C/CC/C(=C\C=O)/C)/C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Abelmoschus Esculentus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1999.9701211 - 2. Outgoing r'ship
FOUND_INto/from Alpinia Galanga (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2012.751058 - 3. Outgoing r'ship
FOUND_INto/from Juniperus Communis (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1527 - 4. Outgoing r'ship
FOUND_INto/from Lippia Alba (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2018.1486232 - 5. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884772 - 6. Outgoing r'ship
FOUND_INto/from Thymus Pulegioides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.884773