Panaxydol
PubChem CID: 5283280
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| Compound Synonyms | Panaxydol, 114718-63-7, 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-ol, (-)-Panaxydol, 9,10-epoxy-heptadeca-1-en-4,6-diyn-3-ol, 9,10-epoxy-1-heptadecen-4,6-diyn-3-ol, DTXSID10415267, 9,10-Epoxy-1-heptadecene-4,6-diyn-3-ol, 8-(3-Heptyloxiranyl)-1-Octene-4,6-diyn-3-ol, 8-(3-Heptyloxiranyl)-1-octene-4,6-diyn-3-ol, 9CI, (3R,9R,10S)-9,10-Epoxy-1-heptadecene-4,6-diyn-3-ol, 1-Octene-4,6-diyn-3-ol, 8-(3-heptyloxiranyl)-, (R)-8-((2R,3S)-3-Heptyloxiran-2-yl)octa-1-en-4,6-diyn-3-ol, 1-Octene-4,6-diyn-3-ol, 8-[(2R,3S)-3-heptyloxiranyl]-, (3R)-, 1-Octene-4,6-diyn-3-ol, 8-[(2R,3S)-3-heptyl-2-oxiranyl]-, (3R)-, 1-Octene-4,6-diyn-3-ol, 8-(3-heptyloxiranyl)-, [2R-[2.alpha.(R*),3.alpha.]]-, 1-Octene-4,6-diyn-3-ol, 8-((2R,3S)-3-heptyl-2-oxiranyl)-, (3R)-, 1-Octene-4,6-diyn-3-ol, 8-((2R,3S)-3-heptyloxiranyl)-, (3R)-, SCHEMBL2266131, DTXCID00366118, 1-Octene-4,6-diyn-3-ol, 8-(3-heptyloxiranyl)-, (2R-(2alpha(R*),3alpha))-, XCA80072, LMFA05000028 |
|---|---|
| Topological Polar Surface Area | 32.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Description | Isolated from Panax ginseng (ginseng)and is also from Panax quinquefolium (American ginseng). Panaxydol is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 398.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P22309 |
| Iupac Name | 8-(3-heptyloxiran-2-yl)oct-1-en-4,6-diyn-3-ol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 4.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C17H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GVLDSGIQZAFIAN-UHFFFAOYSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -4.518 |
| Rotatable Bond Count | 9.0 |
| State | Solid |
| Logd | 4.0 |
| Synonyms | (-)-Panaxydol, 1-Octene-4,6-diyn-3-ol, 8-(3-heptyloxiranyl)-, 8-(3-Heptyloxiranyl)-1-octene-4,6-diyn-3-ol, 8-(3-Heptyloxiranyl)-1-octene-4,6-diyn-3-ol, 9CI, 9,10-Epoxy-1-heptadecene-4,6-diyn-3-ol, 8-(3-Heptyloxiranyl)-1-octene-4,6-diyn-3-ol, 9ci, 4-Methoxymedicarpin |
| Substituent Name | Fatty alcohol, Secondary alcohol, Oxacycle, Organoheterocyclic compound, Ether, Oxirane, Dialkyl ether, Hydrocarbon derivative, Organooxygen compound, Alcohol, Aliphatic heteromonocyclic compound |
| Compound Name | Panaxydol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 260.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 260.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 260.399 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -3.7487374 |
| Inchi | InChI=1S/C17H24O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,15-18H,2-3,5-7,10,13-14H2,1H3 |
| Smiles | CCCCCCCC1C(O1)CC#CC#CC(C=C)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients