14-Hydroxy-heneicosanoic acid
PubChem CID: 5312777
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| Compound Synonyms | 14-hydroxy-heneicosanoic acid, SCHEMBL16230521, LMFA01050207 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCC=O)O))))))))))))))O |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 266.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14-hydroxyhenicosanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C21H42O3 |
| Inchi Key | ZMQDZMCVLNKHRX-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 19.0 |
| Synonyms | 14-hydroxy heneicosanoic acid, 14-hydroxyheneicosanoic, 14-hydroxyheneicosanoic acid |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 14-Hydroxy-heneicosanoic acid |
| Exact Mass | 342.313 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 342.313 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 342.6 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C21H42O3/c1-2-3-4-11-14-17-20(22)18-15-12-9-7-5-6-8-10-13-16-19-21(23)24/h20,22H,2-19H2,1H3,(H,23,24) |
| Smiles | CCCCCCCC(CCCCCCCCCCCCC(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Panax Pseudoginseng (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729