2-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]-3-(4-hydroxyphenyl)propanoic acid
AlkaPlorer ID: AK517344
Synonym: None
IUPAC Name: (2S)-2-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
Structure
SMILES: COC1=CC(/C=C/C(O)=N[C@@H](CC2=CC=C(O)C=C2)C(=O)O)=CC=C1O
InChI: InChI=1S/C19H19NO6/c1-26-17-11-13(4-8-16(17)22)5-9-18(23)20-15(19(24)25)10-12-2-6-14(21)7-3-12/h2-9,11,15,21-22H,10H2,1H3,(H,20,23)(H,24,25)/b9-5+/t15-/m0/s1
InChIKey: RWAXPZCUFIKMTQ-BOSPYUDASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Allium atroviolaceum | Allium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.3620000000001
TPSA？: 119.58
MolLogP？: 2.7720000000000016
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Nitric oxide synthase, inducible | IC50 | 1010.0 | nM | 10.1016/j.ejmech.2018.03.081 |
| Homo sapiens | Nuclear factor NF-kappa-B p65 subunit | Inhibition | nan | % | 10.1016/j.ejmech.2018.03.081 |
| Mus musculus | BV-2 | Activity | nan | None | 10.1016/j.ejmech.2018.03.081 |
| Mus musculus | BV-2 | CC50 | 100000.0 | nM | 10.1016/j.ejmech.2018.03.081 |
| Mus musculus | BV-2 | IC50 | 2670.0 | nM | 10.1016/j.ejmech.2018.03.081 |
| Mus musculus | BV-2 | Inhibition | 50.0 | % | 10.1016/j.ejmech.2018.03.081 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1016/j.ejmech.2018.03.081 |