3,4,5-Trihydroxyphenethylamine; 3',5'-Di-Me ether
AlkaPlorer ID: AK110022
Synonym: 4-Hydroxy-3,5-dimethoxyphenethylamine, 4-(2-Aminoethyl)-2,6-dimethoxyphenol, 3,5-Dimethoxytyramine
IUPAC Name: 4-(2-aminoethyl)-2,6-dimethoxyphenol
Structure
SMILES: COC1=CC(CCN)=CC(OC)=C1O
InChI: InChI=1S/C10H15NO3/c1-13-8-5-7(3-4-11)6-9(14-2)10(8)12/h5-6,12H,3-4,11H2,1-2H3
InChIKey: ISVPPMXWQFCRSS-UHFFFAOYSA-N
Reference
Toxic amines and alkaloids from acacia rigidula
PubChem CID: 533955
CAS: 2413-00-5
LOTUS: LTS0252093
SuperNatural Ⅲ: SN0154420
COCONUT: CNP0174212
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lophophora williamsii | Lophophora | Cactaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 197.234
TPSA？: 64.71000000000001
MolLogP？: 0.9106
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | 3.39 | % | 10.6019/CHEMBL4513160 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | -7.48 | % | 10.6019/CHEMBL4513160 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 14.86 | % | 10.6019/CHEMBL4513160 |
| None | Unchecked | Percent Effect | -9.476 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 10.85 | % | 10.6019/CHEMBL3988442 |
| None | Unchecked | Percent Effect | 32.83 | % | 10.6019/CHEMBL3988442 |