Zingerol
PubChem CID: 3016110
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| Compound Synonyms | 4-(3-hydroxybutyl)-2-methoxyphenol, 39728-80-8, Zingerol, EINECS 254-607-2, UNII-UP8AC5PTXX, UP8AC5PTXX, 4-(4-Hydroxy-3-methoxyphenyl)butan-2-ol, ZINGEROL, (+/-)-, Benzenepropanol, 4-hydroxy-3-methoxy-.alpha.-methyl-, 4-HYDROXY-3-METHOXY-.ALPHA.-METHYLBENZENEPROPANOL, MFCD17168272, SCHEMBL1259085, DTXSID40960331, CHEBI:169651, AKOS014313543, BT-0022, 4-(4-hydroxy-3-methoxyphenyl)-2-butanol, CS-0353981, NS00057648, EN300-1853422, benzenepropanol, 4-hydroxy-3-methoxy-alpha-methyl-, 4-HYDROXY-3-METHOXY-ALPHA-METHYLBENZENEPROPANOL, Q27291185, 254-607-2 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | GTLGHKNKLRZSMO-UHFFFAOYSA-N |
| Fcsp3 | 0.4545454545454545 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 14.0 |
| Compound Name | Zingerol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.11 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 161.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 196.24 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-(3-hydroxybutyl)-2-methoxyphenol |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -2.098968057142857 |
| Inchi | InChI=1S/C11H16O3/c1-8(12)3-4-9-5-6-10(13)11(7-9)14-2/h5-8,12-13H,3-4H2,1-2H3 |
| Smiles | CC(CCC1=CC(=C(C=C1)O)OC)O |
| Xlogp | 1.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C11H16O3 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients