alpha-Kamlolenic acid
PubChem CID: 5282949
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| Compound Synonyms | alpha-kamlolenic acid, alpha-Camlolenic acid, 18-hydroxy-9Z,11E,13E-octadecatrienoic acid, 18-hydroxy-cis-9,trans-11,trans-13-octadecatrienoic acid, (9Z,11E,13E)-18-hydroxyoctadeca-9,11,13-trienoic acid, CHEBI:186633, LMFA02000156 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | OCCCC/C=C/C=C/C=CCCCCCCCC=O)O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Lineolic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 316.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9Z,11E,13E)-18-hydroxyoctadeca-9,11,13-trienoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H30O3 |
| Inchi Key | YPHQMIRXEFDOQM-ALXQIFAGSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | alpha-kamlolenic acid |
| Esol Class | Soluble |
| Functional Groups | C/C=CC=CC=CC, CC(=O)O, CO |
| Compound Name | alpha-Kamlolenic acid |
| Exact Mass | 294.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 294.4 |
| 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/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)/b2-1-,5-3+,9-7+ |
| Smiles | C(CCC/C=C\C=C\C=C\CCCCO)CCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Mallotus Philippensis (Plant) Rel Props:Reference:ISBN:9770972795006