Panaxynol linoleate
PubChem CID: 131753057
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| Compound Synonyms | Panaxynol linoleate |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCC/C=C/CC#CC#CCOC=O)CCCCCCC/C=C/C/C=CCCCCC)))))))))))))))))))C=C |
| Heavy Atom Count | 37.0 |
| Classyfire Class | Fatty acyls |
| Description | Isolated from ginseng. Panaxynol linoleate is found in tea. |
| Classyfire Subclass | Lineolic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 771.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(9E)-heptadeca-1,9-dien-4,6-diyn-3-yl] (9E,12Z)-octadeca-9,12-dienoate |
| Class | Lineolic acids and derivatives |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 12.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Lineolic acids and derivatives |
| Gsk 4 400 Rule | False |
| Molecular Formula | C35H54O2 |
| Inchi Key | QALUBIVHAOUQRD-XEJKXIQKSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 25.0 |
| Synonyms | Panaxynol linoleate, Panaxynol linoleic acid, (9E)-Heptadeca-1,9-dien-4,6-diyn-3-yl (9E,12Z)-octadeca-9,12-dienoic acid, panaxynol linoleate |
| Substituent Name | Octadecanoid, Fatty alcohol ester, Fatty acid ester, Fatty acyl, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C/C, C/C=CC, C=CC, CC#CC#CC, COC(C)=O |
| Compound Name | Panaxynol linoleate |
| Kingdom | Organic compounds |
| Exact Mass | 506.412 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 506.412 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 506.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C35H54O2/c1-4-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35(36)37-34(6-3)32-30-28-26-24-22-18-16-14-12-10-8-5-2/h6,13,15,18-20,22,34H,3-5,7-12,14,16-17,21,23-25,27,29,31,33H2,1-2H3/b15-13-,20-19+,22-18+ |
| Smiles | CCCCCCC/C=C/CC#CC#CC(C=C)OC(=O)CCCCCCC/C=C/C/C=C\CCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 3.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Lineolic acids and derivatives |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:ISBN:9788172362461; ISBN:9788185042145