5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
PubChem CID: 5275725
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| Compound Synonyms | 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one, 77398-92-6, (S)-[8]-Gingerol, 3-Dodecanone, 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-, CHEMBL3883516, 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-dodecanone, (S)-8-Gingerol, (??)-8-Gingerol, (S)-(+)-[8]-Gingerol, SCHEMBL4883453, DTXSID10414992, BCIWKKMTBRYQJU-UHFFFAOYSA-N, CHEBI:171697, BDBM50210057, AKOS040734369, PD086949, DB-046176, 5-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)dodecan-3-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Description | Constituent of ginger, the rhizome of Zingiber officinale. (S)-[8]-Gingerol is found in herbs and spices and ginger. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 318.0 |
| 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)dodecan-3-one |
| Prediction Hob | 0.0 |
| Class | Phenols |
| Xlogp | 4.2 |
| Superclass | Benzenoids |
| Subclass | Methoxyphenols |
| Molecular Formula | C19H30O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BCIWKKMTBRYQJU-UHFFFAOYSA-N |
| Fcsp3 | 0.631578947368421 |
| Logs | -4.107 |
| Rotatable Bond Count | 12.0 |
| State | Solid |
| Logd | 3.565 |
| Synonyms | (8)-Gingerol, (S)-(+)-[8]-Gingerol, (S)-8-Gingerol |
| Compound Name | 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 322.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -3.8799024782608695 |
| Inchi | InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3 |
| Smiles | CCCCCCCC(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