(8)-Gingerdione
PubChem CID: 14440537
Connections displayed (default: 10).
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| Compound Synonyms | (8)-Gingerdione, 8-Gingerdione, 77334-06-6, [8]-Gingerdione, UNII-70E1Y63Q2L, 70E1Y63Q2L, 3,5-Dodecanedione, 1-(4-hydroxy-3-methoxyphenyl)-, 1-(4-Hydroxy-3-methoxyphenyl)dodecane-3,5-dione, 4-Dodecen-3-one, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (4Z)-, CHEBI:175095, QDSRAFNZQKMHPZ-UHFFFAOYSA-N, DTXSID801316888, 3-(octadecylcarbamoyl)-2-sulfo-propanoic Acid, 8-GINGERDIONE: N=6 (CONSTITUENT OF GINGER), Q27265857, 1-(4-Hydroxy-3-methoxyphenyl)-3,5-dodecanedione, 9CI, 8-GINGERDIONE : N=6 (CONSTITUENT OF GINGER) [DSC] |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CCCCCCCC=O)CC=O)CCcccccc6)OC)))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Phenols |
| Description | Constituent of Zingiber officinale (ginger). [8]-Gingerdione is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 353.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-3-methoxyphenyl)dodecane-3,5-dione |
| Prediction Hob | 0.0 |
| Class | Phenols |
| Veber Rule | False |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.7 |
| Superclass | Benzenoids |
| Subclass | Methoxyphenols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H28O4 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QDSRAFNZQKMHPZ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.5789473684210527 |
| Logs | -3.578 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.374 |
| Synonyms | 1-(4-Hydroxy-3-methoxyphenyl)-3,5-dodecanedione, 9CI, 3-(octadecylcarbamoyl)-2-sulfo-propanoic Acid, 1-(4-Hydroxy-3-methoxyphenyl)-3,5-dodecanedione, 9ci, 3-(Octadecylcarbamoyl)-2-sulfO-propanoic acid, 8-gingerdione, gingerdione,8- |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O, cO, cOC |
| Compound Name | (8)-Gingerdione |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 320.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.72250327826087 |
| Inchi | InChI=1S/C19H28O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,22H,3-9,11,14H2,1-2H3 |
| Smiles | CCCCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Gingerdiones |
- 1. Outgoing r'ship
FOUND_INto/from Amomum Zingiber (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Cnidium Officinale (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Cynoglossum Officinale (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Euphrasia Officinale (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Guaiacum Officinale (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Hyssopus Officinale (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Jasminum Officinale (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Levisticum Officinale (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Lithospermum Officinale (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Nasturtium Officinale (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Peucedanum Officinale (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Rheum Officinale (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Schoenocaulon Officinale (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Sisymbrium Officinale (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Symphytum Officinale (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Zingiber Aromaticum (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Zingiber Capitatum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Zingiber Cassumunar (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Zingiber Cernuum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Zingiber Chrysanthum (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Zingiber Montanum (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Zingiber Purpureum (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Zingiber Roseum (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Zingiber Rubens (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Zingiber Spectabile (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Zingiber Zerumbet (Plant) Rel Props:Reference: