4-Hydroxy-3-methoxyphenethylamine
AlkaPlorer ID: AK020333
Synonym: 4-(2-Aminoethyl)-2-methoxyphenol, 3-O-Methyldopamine, 3-Methoxytyramine, Homovanillylamine, 4-(2-Aminoethyl)guaiacol
IUPAC Name: 4-(2-aminoethyl)-2-methoxyphenol
Structure
SMILES: COC1=CC(CCN)=CC=C1O
InChI: InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
InChIKey: DIVQKHQLANKJQO-UHFFFAOYSA-N
Reference
Cactus Alkaloids. XLVI. 3-Methoxytyramine and Lemaireocereine From Backebergia militaris
PubChem CID: 135679918
CAS: 554-52-9
LOTUS: LTS0248517
SuperNatural Ⅲ: SN0066909
NPASS: NPC140359
COCONUT: CNP0308219
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lophophora williamsii | Lophophora | Cactaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Echinocereus | 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 | nan | None | 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 | nan | None | None |
| Homo sapiens | MAP kinase ERK2 | Potency | 39810.7 | nM | None |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 125.9 | nM | None |
| Homo sapiens | Trace amine-associated receptor 1 | EC50 | 308.0 | nM | 10.1021/acsmedchemlett.1c00527 |
| Homo sapiens | Trace amine-associated receptor 1 | Emax | 101.0 | % | 10.1021/acsmedchemlett.1c00527 |
| Rattus norvegicus | Dopamine D2 receptor | Kd | 88000.0 | nM | 10.1021/jm990526y |
| Rattus norvegicus | Dopamine D2 receptor | Kd | 94000.0 | nM | 10.1021/jm990526y |
| Rattus norvegicus | Dopamine D2 receptor | Kd | 225000.0 | nM | 10.1021/jm990526y |
| Rattus norvegicus | Dopamine D2 receptor | Kd | 251000.0 | nM | 10.1021/jm990526y |
| Rattus norvegicus | Muscarinic acetylcholine receptor M1 | Potency | 31.6 | nM | None |