4-(2-Aminoethyl)phenol; N-Ac
AlkaPlorer ID: AK010492
Synonym: N-[2-(4-Hydroxyphenyl)ethyl]acetamide, N-(p-Hydroxyphenethyl)acetamide, N-Acetyltyramine
IUPAC Name: N-[2-(4-hydroxyphenyl)ethyl]acetamide
Structure
SMILES: CC(O)=NCCC1=CC=C(O)C=C1
InChI: InChI=1S/C10H13NO2/c1-8(12)11-7-6-9-2-4-10(13)5-3-9/h2-5,13H,6-7H2,1H3,(H,11,12)
InChIKey: ATDWJOOPFDQZNK-UHFFFAOYSA-N
Reference
Constituents of the Fresh Leaves of Aristolochia cucurbitifolia.
PubChem CID: 121051
CAS: 1202-66-0
LOTUS: LTS0039632
SuperNatural Ⅲ: SN0014752
NPASS: NPC178902
COCONUT: CNP0309556
{NPAtlas: NPA004555
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bombyx mori | Bombyx | Bombycidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
| None | None | None | None | None | None | Fungi | Eukaryota |
| Dioscorea nipponica | Dioscorea | Dioscoreaceae | Dioscoreales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Streptomyces sp. RM-14-6 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| None | None | None | None | None | None | Fungi | Eukaryota |
Properties Information
Molecule Weight: 179.219
TPSA？: 52.82000000000001
MolLogP？: 1.9111
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/acs.jnatprod.6b00948 |
| Homo sapiens | A549 | Activity | nan | None | 10.1021/acs.jnatprod.6b00948 |
| Homo sapiens | Coagulation factor XIII | IC50 | 200.0 | nM | 10.1016/j.ejmech.2020.112442 |
| Homo sapiens | Eyes absent homolog 2 | Potency | 89125.1 | nM | None |
| Homo sapiens | Huh-7 | CC50 | 10000.0 | nM | 10.1073/pnas.0802982105 |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 39810.7 | nM | None |
| Micrococcus luteus | Micrococcus luteus | Activity | nan | None | 10.1021/acs.jnatprod.6b00948 |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 13.74 | nM | 10.1073/pnas.0802982105 |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 1671.0 | nM | 10.1073/pnas.0802982105 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 50000.0 | nM | 10.1021/np060007f |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 13115.4 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | nan | None | 10.1021/acs.jnatprod.6b00948 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Potency | 6309.6 | nM | None |
| Salmonella enterica | Salmonella enterica | Activity | nan | None | 10.1021/acs.jnatprod.6b00948 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/acs.jnatprod.6b00948 |
| Sus scrofa | Aldose reductase | IC50 | 160000.0 | nM | 10.1021/jm0205346 |
| None | Unchecked | IFI | 1.481 | % | 10.1073/pnas.0802982105 |