4-Hydroxy-3-methoxyphenethylamine; N-(2-Hydroxy-5-methoxybenzoyl)
AlkaPlorer ID: AK049893
Synonym: Aduncamide
IUPAC Name: 2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-5-methoxybenzamide
Structure
SMILES: COC1=CC=C(O)C(C(=O)NCCC2=CC=C(O)C(OC)=C2)=C1
InChI: InChI=1S/C17H19NO5/c1-22-12-4-6-14(19)13(10-12)17(21)18-8-7-11-3-5-15(20)16(9-11)23-2/h3-6,9-10,19-20H,7-8H2,1-2H3,(H,18,21)
InChIKey: WMBYQQOXZMDQKB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Piper aduncum | Piper | Piperaceae | Piperales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 317.34100000000007
TPSA？: 88.02000000000001
MolLogP？: 2.0874999999999995
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | BV-2 | Activity | nan | None | 10.1021/acs.jnatprod.1c00055 |
| Mus musculus | BV-2 | IC50 | 26000.0 | nM | 10.1021/acs.jnatprod.1c00055 |