5-Hydroxytryptamine; Nb-(3-Hydroxy-4-methoxy-Z-cinnamoyl)
AlkaPlorer ID: AK302130
Synonym: Nb-(Z)-Isoferuloylserotonin
IUPAC Name: (E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
Structure
SMILES: COC1=CC=C(/C=C/C(=O)NCCC2=CNC3=CC=C(O)C=C23)C=C1O
InChI: InChI=1S/C20H20N2O4/c1-26-19-6-2-13(10-18(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+
InChIKey: ANXSVAOJTRHGIE-XVNBXDOJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 352.39000000000004
TPSA？: 94.58
MolLogP？: 2.9598000000000018
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Agaricus bisporus | Tyrosinase | IC50 | 5400.0 | nM | 10.1016/j.bmcl.2011.02.028 |
| Homo sapiens | Cyclooxygenase-1 | Inhibition | 7.0 | % | 10.1016/j.bmcl.2012.02.002 |
| Homo sapiens | Cyclooxygenase-2 | Inhibition | 8.0 | % | 10.1016/j.bmcl.2012.02.002 |
| Saccharomyces cerevisiae | Alpha-glucosidase MAL62 | IC50 | 300000.0 | nM | 10.1007/s00044-011-9699-9 |
| Saccharomyces cerevisiae | Alpha-glucosidase MAL62 | Inhibition | nan | % | 10.1007/s00044-011-9699-9 |
| None | Radical scavenging activity | EC50 | 35100.0 | nM | 10.1016/j.bmcl.2011.02.028 |