E,E,Z-1,3,12-Nonadecatriene-5,14-diol
PubChem CID: 5364768
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| Compound Synonyms | E,E,Z-1,3,12-Nonadecatriene-5,14-diol, AWDHIFBTFZYCRJ-JRJJAPTRSA-N, (3E,12Z)-1,3,12-Nonadecatriene-5,14-diol, (3E,12Z)-1,3,12-Nonadecatriene-5,14-diol # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | CCCCCC/C=CCCCCCCC/C=C/C=C))))O))))))))))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 281.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,12Z)-nonadeca-1,3,12-triene-5,14-diol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H34O2 |
| Inchi Key | AWDHIFBTFZYCRJ-JRJJAPTRSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | e,e,z-1,3,12-nonadecatriene-5,14-diol |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, C=C/C=C/C, CO |
| Compound Name | E,E,Z-1,3,12-Nonadecatriene-5,14-diol |
| Exact Mass | 294.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 294.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H34O2/c1-3-5-11-15-19(21)17-13-10-8-7-9-12-16-18(20)14-6-4-2/h4,6,13-14,17-21H,2-3,5,7-12,15-16H2,1H3/b14-6+,17-13- |
| Smiles | CCCCCC(/C=C\CCCCCCC(/C=C/C=C)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Napus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662616 - 2. Outgoing r'ship
FOUND_INto/from Petroselinum Crispum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2017.1321504