2-(4-Methoxyphenyl)ethylamine; N-(3,4-Dihydroxy-E-cinnamoyl)
AlkaPlorer ID: AK305756
Synonym: N-trans-Caffeoyl-O-methyltyramine
IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
Structure
SMILES: COC1=CC=C(CCN=C(O)/C=C/C2=CC=C(O)C(O)=C2)C=C1
InChI: InChI=1S/C18H19NO4/c1-23-15-6-2-13(3-7-15)10-11-19-18(22)9-5-14-4-8-16(20)17(21)12-14/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+
InChIKey: JRKPLTBLTYEYJJ-WEVVVXLNSA-N
Reference
PubChem CID: 10403282
CAS: 189307-47-9
LOTUS: LTS0247870
SuperNatural Ⅲ: SN0173207-01
NPASS: NPC251571
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Capsicum annuum | Capsicum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Microcos paniculata | Microcos | Malvaceae | Malvales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Cuscuta reflexa | Cuscuta | Convolvulaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 313.35300000000007
TPSA？: 82.28
MolLogP？: 3.318800000000002
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | IC50 | 10000.0 | nM | 10.1021/np3007414 |
| Homo sapiens | Neuronal acetylcholine receptor; alpha3/beta4 | Inhibition | 14.0 | % | 10.1021/np3007414 |
| Homo sapiens | Neuronal acetylcholine receptor; alpha4/beta2 | Inhibition | 21.8 | % | 10.1021/np3007414 |