9,15-Octadecadienoic acid
PubChem CID: 6439027
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Mangiferic acid, 9,15-Octadecadienoic acid, (9E,15E)-octadeca-9,15-dienoic acid, 13309-77-8, cis-9,cis-15-Octadecadienoic acid, Mangiferate, SCHEMBL1020802, SCHEMBL2941425, AWGFYZFANDHELM-SCPMJEMWSA-N, CHEBI:170098, (9E,15E)-Octadeca-9,15-dienoate |
|---|---|
| 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 | CC/C=C/CCCC/C=C/CCCCCCCC=O)O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of mango fruit and human milk. Mangiferic acid is found in mango and fruits. |
| Classyfire Subclass | Lineolic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 267.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (9E,15E)-octadeca-9,15-dienoic acid |
| Class | Lineolic acids and derivatives |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Lineolic acids and derivatives |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H32O2 |
| Inchi Key | AWGFYZFANDHELM-SCPMJEMWSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | 9,15-Octadecadienoic acid, cis-9,cis-15-Octadecadienoic acid, Mangiferic acid, Mangiferate, (9E,15E)-Octadeca-9,15-dienoate, cis-9,cis-15-octadecadienoic acid |
| Substituent Name | Octadecanoid, Long-chain fatty acid, Fatty acyl, Fatty acid, Unsaturated fatty acid, Straight chain fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, CC(=O)O |
| Compound Name | 9,15-Octadecadienoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 280.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 280.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 280.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,9-10H,2,5-8,11-17H2,1H3,(H,19,20)/b4-3+,10-9+ |
| Smiles | CC/C=C/CCCC/C=C/CCCCCCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Lineolic acids and derivatives |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:fooddb_chem_all