Ginsenoyne D
PubChem CID: 5317635
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Ginsenoyne D, 8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol, 138828-83-8, 4,6-Octadiyn-3-ol, 8-(3-heptyloxiranyl)-, 139163-36-3, (3S)-8-[(2R,3S)-3-Heptyl-2-oxiranyl]-4,6-octadiyn-3-ol, DTXSID90415725, CHEBI:190811, LMFA05000663, 9,10-Epoxy-4,6-heptadecadiyn-3-ol, 8-(3-Heptyloxiranyl)-4,6-octadiyn-3-ol, 9CI |
|---|---|
| Topological Polar Surface Area | 32.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Description | Isolated from roots of Panax ginseng (ginseng). Ginsenoyne D is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-ol |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Xlogp | 4.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty alcohols |
| Molecular Formula | C17H26O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WDZQEROINMBCOK-UHFFFAOYSA-N |
| Fcsp3 | 0.7647058823529411 |
| Logs | -4.533 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.109 |
| Synonyms | 8-(3-Heptyloxiranyl)-4,6-octadiyn-3-ol, 9CI, 9,10-Epoxy-4,6-heptadecadiyn-3-ol, Ginsenoyne D, 8-(3-Heptyloxiranyl)-4,6-octadiyn-3-ol, 9ci |
| Compound Name | Ginsenoyne D |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -3.8116365999999995 |
| Inchi | InChI=1S/C17H26O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h15-18H,3-7,10,13-14H2,1-2H3 |
| Smiles | CCCCCCCC1C(O1)CC#CC#CC(CC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Fatty alcohols |
- 1. Outgoing r'ship
FOUND_INto/from Ginseng (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Panax Innovans (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Panax Japonicus (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Panax Papyrifer (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Panax Pseudo (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Panax Pseudoginseng (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Panax Schinseng (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Panax Sikkimensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Panax Spinosus (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Panax Stipuleanatus (Plant) Rel Props:Reference: