Icosanal
PubChem CID: 75458
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| Compound Synonyms | Icosanal, Eicosanal, 2400-66-0, ALDEHYDE C-20, 12001-36-4, ZNJ1NXP04J, Didecyl aldehyde, EICOSYL ALDEHYDE, EINECS 219-275-5, UNII-ZNJ1NXP04J, AI3-24217, Eicosanal-, N-EICOSANAL, 1-EICOSANAL, SCHEMBL154928, DTXSID00178733, CHEBI:196292, LMFA06000250, MFCD00047661, AKOS032950020, CS-W004308, AS-56043, NS00047967, H11190, Q27295787 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty aldehydes |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCC=O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty aldehydes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | icosanal |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 9.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H40O |
| Inchi Key | FWBUWJHWAKTPHI-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 18.0 |
| Synonyms | eicosanal |
| Esol Class | Poorly soluble |
| Functional Groups | CC=O |
| Compound Name | Icosanal |
| Exact Mass | 296.308 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.308 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 296.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h20H,2-19H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCC=O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Acinos Alpinus (Plant) Rel Props:Reference:https://doi.org/10.1002/(sici)1099-1026(199901/02)14:1<55::aid-ffj784>3.0.co;2-q - 2. Outgoing r'ship
FOUND_INto/from Equisetum Palustre (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2008.9700020 - 3. Outgoing r'ship
FOUND_INto/from Gmelina Arborea (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700165 - 4. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1547 - 5. Outgoing r'ship
FOUND_INto/from Taxus Baccata (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2010.9700371