(2S)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-3-phenylpropanoic acid
AlkaPlorer ID: AK503121
Synonym: None
IUPAC Name: 2-[3-(3,4-dihydroxyphenyl)prop-2-enoylamino]-3-phenylpropanoic acid
Structure
SMILES: O=C(O)C(CC1=CC=CC=C1)N=C(O)C=CC1=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)
InChIKey: QPJDGIIOGMCKTH-UHFFFAOYSA-N
Reference
Caffeic acid derivatives in fronds of the lady fern (Athyrium filix-femina)
PubChem CID: 73189575
LOTUS: LTS0101299
COCONUT: CNP0263447.1
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 |
|---|