(S)-6-Gingerol
PubChem CID: 44559528
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (S)-6-gingerol, CHEMBL471072, BDBM50242117, (5S)-5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P08684, P10635 |
| Iupac Name | (5S)-5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one |
| Prediction Hob | 1.0 |
| Target Id | NPT109 |
| Xlogp | 3.1 |
| Molecular Formula | C17H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LPRPIMHDDACJHT-AWEZNQCLSA-N |
| Fcsp3 | 0.5882352941176471 |
| Logs | -3.281 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.061 |
| Compound Name | (S)-6-Gingerol |
| 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 |
| Esol | -3.1696527714285714 |
| Inchi | InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1 |
| Smiles | CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)OC)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all