(8E,11E,14E)-icosa-8,11,14-trienoic acid
PubChem CID: 5282826
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| Compound Synonyms | 7324-41-6, (8E,11E,14E)-icosa-8,11,14-trienoic acid, 8,11,14-Eicosatrienoic acid, Dihomo--linolenic acid, 68820-40-6, 8,11,14-eicosatrienoic acid, (8Z,11Z,14Z)-, 8,11,14-Eicosatrienoic acid (VAN), SCHEMBL278573, HOBAELRKJCKHQD-YHTMAJSVSA-N, cis-8?11?14-Eicosatrienoic Acid, EX-A1410, AKOS027254925, AS-50368, LS-14826, 8,11,14-Eicosatrienoic acid, (Z,Z,Z)-, CS-0028569, (8E,11E,14E)-icosa-8,11,14-trienoicacid, (8E,11E,14E)-8,11,14-Icosatrienoic acid # |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | CCCCC/C=C/C/C=C/C/C=C/CCCCCCC=O)O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 327.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (8E,11E,14E)-icosa-8,11,14-trienoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H34O2 |
| Inchi Key | HOBAELRKJCKHQD-YHTMAJSVSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 15.0 |
| Synonyms | (z,z,z)-8,11,14-eicosatrienoic-acid |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, CC(=O)O |
| Compound Name | (8E,11E,14E)-icosa-8,11,14-trienoic acid |
| Exact Mass | 306.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 3.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+ |
| Smiles | CCCCC/C=C/C/C=C/C/C=C/CCCCCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Morinda Citrifolia (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279