5-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)Decan-3-One
PubChem CID: 3473
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| Compound Synonyms | 39886-76-5, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one, rac-[6]-Gingerol, 3-DECANONE, 5-HYDROXY-1-(4-HYDROXY-3-METHOXYPHENYL)-, 6G [6]-gingerol, CHEMBL1950582, DTXSID40274400, (+/-)-[6]-Gingerol, (+)-[6]-Gingerol, (S)-(+)-[6]Gingerol, 6-Gingerol, (+/-)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone, (+/-)-[6]-Gingerol, , ()-[6]-Gingerol, 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone, (S)-(+)-[6]-Gingerol, SCHEMBL2121898, 6-GINGEROL,(+/-), DTXCID20225879, NLDDIKRKFXEWBK-UHFFFAOYSA-N, HMS3873C03, BCP13252, PBA88676, BDBM50210056, AKOS022185461, AS-40842, DB-046177, DB-229381, NS00067014, 5-Hydroxy-1-(4-Hydroxy-3-Methoxtphenyl)-3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)decan-3-one, 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone # |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Description | Constituent of ginger Zingiber officinale. (S)-[6]-Gingerol is found in many foods, some of which are caraway, star anise, cumin, and ginger. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q6RI86, Q8NER1, n.a., P09960, P54292 |
| Iupac Name | 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Target Id | NPT472, NPT2520 |
| Xlogp | 2.5 |
| Superclass | Benzenoids |
| Subclass | Phenols and derivatives |
| Molecular Formula | C17H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NLDDIKRKFXEWBK-UHFFFAOYSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -3.229 |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Logd | 2.839 |
| Synonyms | (+)-[6]-Gingerol, (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one, (S)-(+)-[6]-Gingerol, (S)-(+)-[6]Gingerol, (S)-6-Gingerol, [6]-Gingerol, 3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, (S)-, 5-Hydroxy-1-(4-hydroxy-3-methoxtphenyl)-3-decanone, 5-Hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-one, 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone, 6-Gingerol, Gingerol, 6g [6]-Gingerol, (6)-Gingerol, 10-Gingerol |
| Substituent Name | Gingerol, Fatty alcohol, Methoxybenzene, Phenol ether, Anisole, Alkyl aryl ether, Fatty acyl, Beta-hydroxy ketone, Beta-ketoaldehyde, Secondary alcohol, Ketone, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aromatic homomonocyclic compound |
| Compound Name | 5-Hydroxy-1-(4-Hydroxy-3-Methoxyphenyl)Decan-3-One |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 294.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -2.9554527714285705 |
| Inchi | InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3 |
| Smiles | CCCCCC(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;npass_chem_all