Phenylalanine; (S)-form, N-(3,4-Dihydroxy-E-cinnamoyl)
AlkaPlorer ID: AK309992
Synonym: N-Caffeoylphenylalanine
IUPAC Name: 2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-phenylpropanoic acid
Structure
SMILES: O=C(/C=C/C1=CC=C(O)C(O)=C1)NC(CC1=CC=CC=C1)C(=O)O
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+
InChIKey: QPJDGIIOGMCKTH-VQHVLOKHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Athyrium | Athyriaceae | Polypodiales | Polypodiopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.33600000000007
TPSA？: 106.86
MolLogP？: 1.9231
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | Human immunodeficiency virus type 1 integrase | IC50 | 95000.0 | nM | 10.1016/j.ejmech.2007.02.016 |