(2S)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-3-phenylpropanoic acid
AlkaPlorer ID: AK503122
Synonym: None
IUPAC Name: (2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
Structure
SMILES: O=C(O)[C@H](CC1=CC=CC=C1)N=C(O)/C=C/C1=CC=C(O)C(O)=C1
InChI: InChI=1S/C18H17NO5/c20-15-8-6-13(11-16(15)21)7-9-17(22)19-14(18(23)24)10-12-4-2-1-3-5-12/h1-9,11,14,20-21H,10H2,(H,19,22)(H,23,24)/b9-7+/t14-/m0/s1
InChIKey: QPJDGIIOGMCKTH-KGXGESDWSA-N
Reference
Caffeic acid derivatives in fronds of the lady fern (Athyrium filix-femina)
PubChem CID: 15228041
LOTUS: LTS0182712
SuperNatural Ⅲ: SN0311599-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Athyrium filix-femina | Athyrium | Athyriaceae | Polypodiales | Polypodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.33600000000007
TPSA？: 110.35
MolLogP？: 2.7634000000000016
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Amyloid-beta A4 protein | IC50 | 72900.0 | nM | 10.1016/j.bmc.2018.04.044 |
| Homo sapiens | Amyloid-beta A4 protein | Inhibition | nan | % | 10.1016/j.bmc.2018.04.044 |
| Influenza A virus | Neuraminidase | IC50 | 37400.0 | nM | 10.1016/j.bmcl.2013.04.033 |
| Influenza A virus | Neuraminidase | IC50 | 39600.0 | nM | 10.1016/j.bmcl.2013.04.033 |