10-Gingerdione
PubChem CID: 5317591
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| Compound Synonyms | 10-Gingerdione, SCHEMBL15570964 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Description | 10-gingerdione is a member of the class of compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. 10-gingerdione is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 10-gingerdione can be found in ginger, which makes 10-gingerdione a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradec-3-en-5-one |
| Prediction Hob | 0.0 |
| Class | Phenols |
| Xlogp | 6.3 |
| Superclass | Benzenoids |
| Subclass | Methoxyphenols |
| Molecular Formula | C21H32O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZDFMHONYMPZGOT-MNDPQUGUSA-N |
| Fcsp3 | 0.5714285714285714 |
| Logs | -4.168 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.031 |
| Compound Name | 10-Gingerdione |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 348.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 348.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 348.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -5.2891946 |
| Inchi | InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-16,23-24H,3-11,13H2,1-2H3/b19-16- |
| Smiles | CCCCCCCCCC(=O)/C=C(/CCC1=CC(=C(C=C1)O)OC)\O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Methoxyphenols |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all