[12]-Gingerdione
PubChem CID: 86251913
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| Compound Synonyms | [12]-Gingerdione, 1-(4-Hydroxy-3-methoxyphenyl)hexadecane-3,5-dione, CHEBI:179572, SRGFWRMSKPVJOD-UHFFFAOYSA-N, DTXSID501233764, 1-(4-Hydroxy-3-methoxyphenyl)-3,5-hexadecanedione, 1-(4-Hydroxy-3-methoxyphenyl)-3,5-hexadecanedione, 9CI, 91815-31-5 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Description | From Zingiber officinale (ginger). [12]-Gingerdione is found in herbs and spices. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 407.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,5-dione |
| Prediction Hob | 0.0 |
| Xlogp | 5.8 |
| Molecular Formula | C23H36O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SRGFWRMSKPVJOD-UHFFFAOYSA-N |
| Fcsp3 | 0.6521739130434783 |
| Logs | -4.609 |
| Rotatable Bond Count | 16.0 |
| Logd | 4.413 |
| Synonyms | 1-(4-Hydroxy-3-methoxyphenyl)-3,5-hexadecanedione, 9CI |
| Compound Name | [12]-Gingerdione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.261 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.261 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 376.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.144873844444444 |
| Inchi | InChI=1S/C23H36O4/c1-3-4-5-6-7-8-9-10-11-12-20(24)18-21(25)15-13-19-14-16-22(26)23(17-19)27-2/h14,16-17,26H,3-13,15,18H2,1-2H3 |
| Smiles | CCCCCCCCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients