Dopamine; N,N-Di-Me
AlkaPlorer ID: AK025740
Synonym: 4-[2-(Dimethylamino)ethyl]-1,2-benzenediol, N,N-Dimethyl-3,4-dihydroxyphenethylamine, N,N-Dimethyldopamine
IUPAC Name: 4-[2-(dimethylamino)ethyl]benzene-1,2-diol
Structure
SMILES: CN(C)CCC1=CC=C(O)C(O)=C1
InChI: InChI=1S/C10H15NO2/c1-11(2)6-5-8-3-4-9(12)10(13)7-8/h3-4,7,12-13H,5-6H2,1-2H3
InChIKey: XJTVXBWTYZCUJX-UHFFFAOYSA-N
Reference
Toxic amines and alkaloids from acacia rigidula
PubChem CID: 152427
CAS: 21581-37-3
LOTUS: LTS0091383
COCONUT: CNP0358976
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Acacia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 181.235
TPSA？: 43.7
MolLogP？: 1.2019
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Canis lupus familiaris | Canis familiaris | Activity | nan | None | 10.1021/jm00201a002 |
| Canis lupus familiaris | Canis familiaris | ED50 | nan | None | 10.1021/jm00201a002 |
| Canis lupus familiaris | Canis familiaris | Inhibition | nan | % | 10.1021/jm00201a002 |
| Columba livia | Columba livia | Activity | nan | None | 10.1021/jm00201a002 |
| Columba livia | Columba livia | ED50 | 9.7 | umol.kg-1 | 10.1021/jm00201a002 |
| Felis catus | Felis catus | Activity | nan | None | 10.1021/jm00201a002 |
| Felis catus | Felis catus | ED50 | 0.024 | umol.kg-1 | 10.1021/jm00201a002 |
| Felis catus | Felis catus | Inhibition | nan | % | 10.1021/jm00201a002 |
| Mus musculus | Mus musculus | IC50 | 10000.0 | nM | 10.1021/jm00371a021 |
| Rattus norvegicus | Rattus norvegicus | Activity | nan | None | 10.1021/jm00201a002 |
| None | Unchecked | ED50 | 0.07 | umol/L | 10.1021/jm00201a002 |