1-Heptadecene-4,6-diyne-3,9-diol
PubChem CID: 5318011
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| Compound Synonyms | 1-Heptadecene-4,6-diyne-3,9-diol, heptadec-1-en-4,6-diyne-3,9-diol, 77084-19-6, CHEBI:169178, DTXSID501302543, LMFA05000599, heptadeca-1-en-4,6-diyne-3,9-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Description | Present in ginseng root. 1-Heptadecene-4,6-diyne-3,9-diol is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 358.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | heptadec-1-en-4,6-diyne-3,9-diol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 4.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C17H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WNSUMUNACHNURC-UHFFFAOYSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -4.416 |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Logd | 3.442 |
| Compound Name | 1-Heptadecene-4,6-diyne-3,9-diol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 262.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 262.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -3.7960366 |
| Inchi | InChI=1S/C17H26O2/c1-3-5-6-7-8-10-14-17(19)15-12-9-11-13-16(18)4-2/h4,16-19H,2-3,5-8,10,14-15H2,1H3 |
| Smiles | CCCCCCCCC(CC#CC#CC(C=C)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Long-chain fatty alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Saposhnikovia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all