4-Hydroxy-3-methoxyphenethylamine; N-(4-Hydroxy-3-methoxy-E-cinnamoyl)
AlkaPlorer ID: AK301386
Synonym: N-trans-Feruloyl-3-methoxytyramine, N-trans-Feruloyl-3-O-methyldopamine
IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide
Structure
SMILES: COC1=CC(/C=C/C(O)=NCCC2=CC=C(O)C(OC)=C2)=CC=C1O
InChI: InChI=1S/C19H21NO5/c1-24-17-11-13(3-6-15(17)21)5-8-19(23)20-10-9-14-4-7-16(22)18(12-14)25-2/h3-8,11-12,21-22H,9-10H2,1-2H3,(H,20,23)/b8-5+
InChIKey: GRXBVKANHNUZNL-VMPITWQZSA-N
Reference
Secondary Metabolites from the Roots of <i>Litsea hypophaea</i> and Their Antitubercular Activity
PubChem CID: 5352115
CAS: 78510-19-7
LOTUS: LTS0045899
SuperNatural Ⅲ: SN0113727-01
NPASS: NPC214869
Source
Properties Information
Molecule Weight: 343.379
TPSA？: 91.51
MolLogP？: 3.327400000000002
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Agaricus bisporus | Tyrosinase | IC50 | 1000000.0 | nM | 10.1021/np100900k |
| Homo sapiens | HepG2 | IC50 | 20.0 | ug.mL-1 | 10.1021/np070089n |
| Homo sapiens | WI-38 | IC50 | 20.0 | ug.mL-1 | 10.1021/np070089n |
| Homo sapiens | WI-38 VA13 | IC50 | 20.0 | ug.mL-1 | 10.1021/np070089n |
| Mus musculus | B16-F10 | Activity | nan | None | 10.1021/np100900k |
| Mus musculus | BV-2 | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.1c00055 |
| Mus musculus | RAW264.7 | IC50 | 50000.0 | nM | 10.1021/acs.jnatprod.1c00146 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 1.6 | ug.mL-1 | 10.1021/np100022s |