Ginsenoyne J
PubChem CID: 131752800
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| Compound Synonyms | Ginsenoyne J, CHEBI:138767 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCC/C=C/CC#C/C=C/CC=C))O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of the roots of Panax ginseng. Ginsenoyne J is found in tea. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 311.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (4E,9E)-heptadeca-1,4,9-trien-6-yn-3-ol |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H26O |
| Inchi Key | AZYMFOSYSFSUMW-QLJIQFCGSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | Ginsenoyne J, ginsenoyne j |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=C/C, C=CC, CC#C/C=C/C, CO |
| Compound Name | Ginsenoyne J |
| Kingdom | Organic compounds |
| Exact Mass | 246.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 246.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,15-18H,2-3,5-9,12H2,1H3/b11-10+,16-15+ |
| Smiles | CCCCCCC/C=C/CC#C/C=C/C(C=C)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 2.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:ISBN:9788172362461; ISBN:9788185042145