4-(2-Aminoethyl)phenol; N-(2ξ-Methylbutanoyl)
AlkaPlorer ID: AK285448
Synonym: N-[2-(4-Hydroxyphenyl)ethyl]-2-methylbutanamide, N-(2-Methylbutanoyl)tyramine, Antibiotic YUA 001, YUA 001
IUPAC Name: N-[2-(4-hydroxyphenyl)ethyl]-2-methylbutanamide
Structure
SMILES: CCC(C)C(O)=NCCC1=CC=C(O)C=C1
InChI: InChI=1S/C13H19NO2/c1-3-10(2)13(16)14-9-8-11-4-6-12(15)7-5-11/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKey: GHWNXVWVLOGWPT-UHFFFAOYSA-N
Reference
PubChem CID: 10421060
CAS: 218163-66-3
LOTUS: LTS0142079
COCONUT: CNP0165732.2
{NPAtlas: NPA003797
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Vibrio sp. | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Corynebacterium sp. | Corynebacterium | Corynebacteriaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 221.3
TPSA？: 52.82000000000001
MolLogP？: 2.9373000000000014
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Sus scrofa | Aldose reductase | IC50 | 1800000.0 | nM | 10.1021/jm0205346 |