Coriolic acid
PubChem CID: 5282947
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| Compound Synonyms | Coriolic acid, 18104-45-5, 13-Hode, (+/-)13-HODE, 73804-64-5, (9Z,11E)-13-hydroxyoctadeca-9,11-dienoic acid, alpha-artemisolic acid, 13-hydroxy-9Z,11E-octadecadienoic acid, 13-hydroxy-cis-9,trans-11-octadecadienoic acid, ( inverted exclamation markA)-Coriolic acid, (9Z,11E)-13-Hydroxy-9,11-octadecadienoic acid, 9,11-Octadecadienoicacid, 13-hydroxy-, (9Z,11E)-, 13(S)-Hydroxyoctadeca-9(Z),11(E)-dienoic acid (13-HODE), (+/-)-13-Hydroxy-9Z,11E-octadecadienoic acid, Artemesic acid, a-Artemisolic acid, BML2-D07, GTPL5426, MEGxp0_001988, SCHEMBL2467201, 13-HODE-[d4], ACon1_001217, CHEBI:72639, HNICUWMFWZBIFP-BSZOFBHHSA-N, DTXSID601316494, (??)13-HODE, LMFA02000154, AKOS040755372, FS-8391, HY-113884A, NCGC00161319-01, NCGC00161319-02, NCGC00169564-01, DB-215108, CS-0107324, SR-01000946950, 13(r,s)-hydroxy-(z,e)-9,11-octadecadienoic acid, SR-01000946950-1, BRD-A95445310-001-01-3, Q27070770 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Other Octadecanoids |
| Deep Smiles | CCCCCC/C=C/C=CCCCCCCCC=O)O)))))))))))))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Lineolic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9Z,11E)-13-hydroxyoctadeca-9,11-dienoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H32O3 |
| Inchi Key | HNICUWMFWZBIFP-BSZOFBHHSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | 13-hydroxyoctadeca-cis-9-trans-11-dienoic-acid |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC=CC, CC(=O)O, CO |
| Compound Name | Coriolic acid |
| Exact Mass | 296.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+ |
| Smiles | CCCCCC(/C=C/C=C\CCCCCCCC(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Np Classifier Superclass | Octadecanoids |
- 1. Outgoing r'ship
FOUND_INto/from Urtica Dioica (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279