N-P-Coumaroyl Tyramine
Representations & DB's id
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| ChEBI: | CHEBI:65665 | |
|---|---|---|
| ChEMBL: | CHEMBL64286 | |
| PubChem: | 5372945 | |
| IUPAC: | (E)-3-(4-hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide | |
| Standard InChI: | InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+ | |
| Standard InChI Key: | RXGUTQNKCXHALN-BJMVGYQFSA-N | |
| SMILES: | Oc1ccc(cc1)CCN=C(/C=C/c1ccc(cc1)O)O | |
Molecular propeties
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| AlogP: | 2.47 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 283.12 | |
| Topological polar surface area: | 69.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.118 | |
| Number of carbons: | 17 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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