3,4,5-Trihydroxyphenethylamine; 3',5'-Di-Me ether, N-(4-hydroxy-3-methoxy-E-cinnamoyl)
AlkaPlorer ID: AK316637
Synonym: N-trans-Feruloyl-3,5-dimethoxytyramine, Hibiscusamide
IUPAC Name: (E)-N-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Structure
SMILES: COC1=CC(/C=C/C(O)=NCCC2=CC(OC)=C(O)C(OC)=C2)=CC=C1O
InChI: InChI=1S/C20H23NO6/c1-25-16-10-13(4-6-15(16)22)5-7-19(23)21-9-8-14-11-17(26-2)20(24)18(12-14)27-3/h4-7,10-12,22,24H,8-9H2,1-3H3,(H,21,23)/b7-5+
InChIKey: BDRTZXBHPMDADX-FNORWQNLSA-N
Reference
A New Cytotoxic Amide from the Stem Wood of<i>Hibiscus tiliaceus</i>
PubChem CID: 11964492
CAS: 925211-84-3
LOTUS: LTS0212437
SuperNatural Ⅲ: SN0022735-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Hibiscus | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Alternanthera philoxeroides | Alternanthera | Amaranthaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 373.405
TPSA？: 100.74
MolLogP？: 3.3360000000000025
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | IC50 | 4000.0 | nM | 10.1016/j.ejmech.2019.07.064 |
| Mus musculus | P388 | IC50 | 4000.0 | nM | 10.1016/j.ejmech.2019.07.064 |