Benzylamine; N-E-Cinnamoyl
AlkaPlorer ID: AK290431
Synonym: N-Benzyl-trans-cinnamide, N-trans-Cinnamoylbenzylamine
IUPAC Name: (E)-N-benzyl-3-phenylprop-2-enamide
Structure
SMILES: O=C(/C=C/C1=CC=CC=C1)NCC1=CC=CC=C1
InChI: InChI=1S/C16H15NO/c18-16(12-11-14-7-3-1-4-8-14)17-13-15-9-5-2-6-10-15/h1-12H,13H2,(H,17,18)/b12-11+
InChIKey: MPWRITRYGLHZBT-VAWYXSNFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Piper submultinerve | Piper | Piperaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 237.302
TPSA？: 29.1
MolLogP？: 3.0162000000000013
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Athelia rolfsii | Athelia rolfsii | GI | 29.0 | % | 10.1584/jpestics.25.263 |
| Athelia rolfsii | Athelia rolfsii | GI | 49.0 | % | 10.1584/jpestics.25.263 |
| Athelia rolfsii | Athelia rolfsii | GI | 90.0 | % | 10.1584/jpestics.25.263 |
| Brassica rapa subsp. chinensis | Brassica rapa subsp. chinensis | GI | 81.0 | % | 10.1584/jpestics.25.263 |
| Brassica rapa subsp. chinensis | Brassica rapa subsp. chinensis | GI | 93.0 | % | 10.1584/jpestics.25.263 |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 354.8 | nM | None |
| Homo sapiens | Matrix metalloproteinase-1 | IC50 | 3303.83 | nM | 10.1016/j.bmcl.2013.01.027 |
| Homo sapiens | Matrix metalloproteinase-2 | IC50 | 9.02 | nM | 10.1016/j.bmcl.2013.01.027 |
| Homo sapiens | Matrix metalloproteinase 9 | IC50 | 8.13 | nM | 10.1016/j.bmcl.2013.01.027 |
| Homo sapiens | MMP-1/MMP-2 | Ratio IC50 | 366.0 | None | 10.1016/j.bmcl.2013.01.027 |
| Pythium | Pythium | GI | 73.0 | % | 10.1584/jpestics.25.263 |
| None | Unchecked | Ratio IC50 | 406.0 | None | 10.1016/j.bmcl.2013.01.027 |