2-Amino-4'-hydroxyacetophenone; N-(4-Hydroxy-3-methoxy-Z-cinnamoyl)
AlkaPlorer ID: AK285719
Synonym: cis-Terrestriamide
IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)-2-oxoethyl]prop-2-enamide
Structure
SMILES: COC1=CC(/C=C/C(O)=NCC(=O)C2=CC=C(O)C=C2)=CC=C1O
InChI: InChI=1S/C18H17NO5/c1-24-17-10-12(2-8-15(17)21)3-9-18(23)19-11-16(22)13-4-6-14(20)7-5-13/h2-10,20-21H,11H2,1H3,(H,19,23)/b9-3+
InChIKey: QIPDEXHJCVHMKQ-YCRREMRBSA-N
Reference
PubChem CID: 5321824
CAS: 2170469-93-7
LOTUS: LTS0060142
SuperNatural Ⅲ: SN0306427-01
NPASS: NPC153644
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Artemisia annua | Artemisia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Tribulus terrestris | Tribulus | Zygophyllaceae | Zygophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Vitex trifolia | Vitex | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 327.336
TPSA？: 99.35
MolLogP？: 2.959000000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Beta-glucosidase | Inhibition | nan | % | 10.1016/j.ejmech.2016.02.044 |
| None | Unchecked | IC50 | 61540.0 | nM | 10.1016/j.ejmech.2016.02.044 |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.ejmech.2016.02.044 |
| None | Unchecked | Ki | 62100.0 | nM | 10.1016/j.ejmech.2016.02.044 |