13-Tetradecene-1,3-diyne-6,7-diol
PubChem CID: 53440552
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| Compound Synonyms | Panaxyne, 122855-49-6, 13-Tetradecene-1,3-diyne-6,7-diol, TETRADEC-13-EN-1,3-DIYNE-6,7-DIOL, DTXSID00702653, CHEBI:169006, GLXC-19174, HY-N3113, XEA85549, LMFA05000589, AKOS032948262, Tetradec-13-ene-1,3-diyne-6,7-diol, DA-69472, CS-0023270 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols |
| Deep Smiles | C=CCCCCCCCCC#CC#C)))))O))O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of the roots of Panax ginseng (ginseng). 13-Tetradecene-1,3-diyne-6,7-diol is found in tea. |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 296.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetradec-13-en-1,3-diyne-6,7-diol |
| Class | Fatty Acyls |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H20O2 |
| Inchi Key | WOVGAQBKTGZPTO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | Panaxyne, panaxyne |
| Esol Class | Soluble |
| Functional Groups | C#CC#CC, C=CC, CO |
| Compound Name | 13-Tetradecene-1,3-diyne-6,7-diol |
| Kingdom | Organic compounds |
| Exact Mass | 220.146 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.146 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 220.31 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H20O2/c1-3-5-7-8-10-12-14(16)13(15)11-9-6-4-2/h2-3,13-16H,1,5,7-8,10-12H2 |
| Smiles | C=CCCCCCC(C(CC#CC#C)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Fatty alcohols |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:ISBN:9788185042138