Methyl-6-Gingerol
PubChem CID: 70697235
Connections displayed (default: 10).
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| Compound Synonyms | Methyl-6-Gingerol, CHEMBL2069329, HY-N9947, AKOS040763750, 23513-10-2 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 305.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5S)-1-(3,4-dimethoxyphenyl)-5-hydroxydecan-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C18H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CTGAPJBPSCUFRO-HNNXBMFYSA-N |
| Fcsp3 | 0.6111111111111112 |
| Logs | -3.526 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.244 |
| Compound Name | Methyl-6-Gingerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 308.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 308.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3889097818181817 |
| Inchi | InChI=1S/C18H28O4/c1-4-5-6-7-15(19)13-16(20)10-8-14-9-11-17(21-2)18(12-14)22-3/h9,11-12,15,19H,4-8,10,13H2,1-3H3/t15-/m0/s1 |
| Smiles | CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)OC)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aframomum Melegueta (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all