3-Hydroxy-4-methoxyphenethylamine
AlkaPlorer ID: AK042861
Synonym: 5-(2-Aminoethyl)-2-methoxyphenol, 4-O-Methyldopamine
IUPAC Name: 5-(2-aminoethyl)-2-methoxyphenol
Structure
SMILES: COC1=CC=C(CCN)C=C1O
InChI: InChI=1S/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3
InChIKey: WJXQFVMTIGJBFX-UHFFFAOYSA-N
Reference
Toxic amines and alkaloids from acacia rigidula
PubChem CID: 1748
CAS: 3213-30-7
LOTUS: LTS0049478
SuperNatural Ⅲ: SN0412302
NPASS: NPC13020
COCONUT: CNP0246187
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachycereus pecten-aboriginum | Pachycereus | Cactaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 167.20800000000003
TPSA？: 55.48
MolLogP？: 0.902
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 15848.93 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | 39810.72 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | Potency | 39810.7 | nM | None |
| Homo sapiens | Nuclear factor NF-kappa-B p105 subunit | Potency | 3.5 | nM | None |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 6309.6 | nM | None |
| Rattus norvegicus | Muscarinic acetylcholine receptor M1 | Potency | 28183.8 | nM | None |
| None | Unchecked | Potency | 35481.3 | nM | None |