3,4-Dimethoxyphenethylamine; N-Ac
AlkaPlorer ID: AK237941
Synonym: N-Acetylhomoveratrylamine, N-Acetyl-3,4-dimethoxyphenethylamine
IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Structure
SMILES: COC1=CC=C(CCN=C(C)O)C=C1OC
InChI: InChI=1S/C12H17NO3/c1-9(14)13-7-6-10-4-5-11(15-2)12(8-10)16-3/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKey: WEQRLEDPPGQGOP-UHFFFAOYSA-N
Reference
Berberis alkaloids. XXIX. An investigation of the alkaloids ofBerberis sibirica
PubChem CID: 80465
CAS: 19520-38-8
LOTUS: LTS0186755
SuperNatural Ⅲ: SN0408223
COCONUT: CNP0318901
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis sibirica | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 223.272
TPSA？: 51.05
MolLogP？: 2.2227
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Gallus gallus | Melatonin receptor | Ki | 870.0 | nM | 10.1021/jm9508189 |
| Gallus gallus | Melatonin receptor | pRA | -3.17 | None | 10.1021/jm9810093 |