N-Feruloyl Serotonin
Representations & DB's id
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| ChEBI: | CHEBI:85158 | |
|---|---|---|
| ChEMBL: | CHEMBL564482 | |
| PubChem: | 5969616 | |
| IUPAC: | (E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide | |
| Standard InChI: | InChI=1S/C20H20N2O4/c1-26-19-10-13(2-6-18(19)24)3-7-20(25)21-9-8-14-12-22-17-5-4-15(23)11-16(14)17/h2-7,10-12,22-24H,8-9H2,1H3,(H,21,25)/b7-3+ | |
| Standard InChI Key: | WGHKJYWENWLOMY-XVNBXDOJSA-N | |
| SMILES: | COc1cc(/C=C/C(=NCCc2c[nH]c3c2cc(O)cc3)O)ccc1O | |
Molecular propeties
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| AlogP: | 2.96 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 352.14 | |
| Topological polar surface area: | 94.6 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.15 | |
| Number of carbons: | 20 | |