10,20-Dihydroxyeicosanoic acid
PubChem CID: 14259007
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| Compound Synonyms | 10,20-Dihydroxyeicosanoic acid, 10,20-DIHYDROXYICOSANOIC ACID, 120727-26-6, 10,20-Dihydroxyicosanoate, 10,20-Dihydroxyeicosanoate, CHEBI:172568, DTXSID201306877 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | OCCCCCCCCCCCCCCCCCCCC=O)O))))))))))O |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Fatty acyls |
| Description | Isolated from the leaf cutin of Limonia acidissima (wood apple). 10,20-Dihydroxyeicosanoic acid is found in fruits. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 268.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,20-dihydroxyicosanoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H40O4 |
| Inchi Key | RIIQXYZWFWMFSB-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 19.0 |
| Synonyms | 10,20-Dihydroxyeicosanoate, 10,20-Dihydroxyicosanoate, 10,20-dihydroxyeicosanoic, 10,20-dihydroxyeicosanoic acid, 10,20-dihydroxyicosanoic acid, eicosanoic acid, 10,20-dihydroxy |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 10,20-Dihydroxyeicosanoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 344.293 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.293 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 344.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H40O4/c21-18-14-10-6-2-1-3-7-11-15-19(22)16-12-8-4-5-9-13-17-20(23)24/h19,21-22H,1-18H2,(H,23,24) |
| Smiles | C(CCCCCO)CCCCC(CCCCCCCCC(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Feronia Limonia (Plant) Rel Props:Reference:ISBN:9770972795006 - 2. Outgoing r'ship
FOUND_INto/from Hesperethusa Crenulata (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042138 - 3. Outgoing r'ship
FOUND_INto/from Limonia Acidissima (Plant) Rel Props:Reference:ISBN:9788171360536 - 4. Outgoing r'ship
FOUND_INto/from Limonia Elephantum (Plant) Rel Props:Reference:ISBN:9788172360818 - 5. Outgoing r'ship
FOUND_INto/from Naringi Crenulata (Plant) Rel Props:Reference:ISBN:9788185042138