Dihydrocapsaicin
Representations & DB's id
| ||
| ChEBI: | CHEBI:46932 | |
|---|---|---|
| ChEMBL: | CHEMBL311158 | |
| PubChem: | 107982 | |
| IUPAC: | N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide | |
| Standard InChI: | InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21) | |
| Standard InChI Key: | XJQPQKLURWNAAH-UHFFFAOYSA-N | |
| SMILES: | COc1cc(CN=C(CCCCCCC(C)C)O)ccc1O | |
Molecular propeties
| ||
| AlogP: | 4.01 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 1 | |
| Molecular Weight: | 307.21 | |
| Topological polar surface area: | 58.6 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.611 | |
| Number of carbons: | 18 | |