5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
PubChem CID: 5275726
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| Compound Synonyms | 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one, (S)-[10]-Gingerol, 107257-18-1, 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone, CHEMBL3883497, SCHEMBL4885722, CHEBI:175490, HEA25718, BDBM50210068, PD065143, NS00097289, 3-Tetradecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, 5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)tetradecan-3-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Description | Constituent of ginger, the rhizome of Zingiber officinale. (S)-[10]-Gingerol is found in herbs and spices and ginger. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 345.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one |
| Prediction Hob | 0.0 |
| Class | Phenols |
| Target Id | NPT2520 |
| Xlogp | 5.3 |
| Superclass | Benzenoids |
| Subclass | Methoxyphenols |
| Molecular Formula | C21H34O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AIULWNKTYPZYAN-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -4.604 |
| Rotatable Bond Count | 14.0 |
| State | Solid |
| Logd | 4.01 |
| Synonyms | (10)-Gingerol, (S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone, [10]-Gingerol |
| Compound Name | 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.246 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.246 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 350.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -4.5867938 |
| Inchi | InChI=1S/C21H34O4/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/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3 |
| Smiles | CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Gingerols |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all