2-Hydroxy-1-(1H-indol-3-yl)ethanone
AlkaPlorer ID: AK011175
Synonym: '', '3-(Hydroxyacetyl)-indole', '3-(Hydroxyacetyl)indole', 'SMR000386954', 'MLS001049127', '2400-51-3', '2-Hydroxy-1-(1H-indol-3-yl)ethanone'
IUPAC Name: 2-hydroxy-1-(1H-indol-3-yl)ethanone
Structure
SMILES: O=C(CO)C1=CNC2=CC=CC=C12
InChI: InChI=1S/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,11-12H,6H2
InChIKey: IBLZDDPFMAFWKP-UHFFFAOYSA-N
Reference
New Tryptophan Metabolites from Cultures of the Lipophilic Yeast <i>Malassezia furfur</i>
PubChem CID: 200631
CAS: 2400-51-3
LOTUS: LTS0084198
COCONUT: CNP0306348
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prionitis lanceolata | Prionitis | Halymeniaceae | Halymeniales | Florideophyceae | Rhodophyta | None | Eukaryota |
Properties Information
Molecule Weight: 175.187
TPSA？: 53.09
MolLogP？: 1.3429
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia | Artemia | Activity | nan | None | 10.1021/np50076a021 |
| Homo sapiens | BXPC-3 | GI50 | 0.31 | ug.mL-1 | 10.1021/np058087v |
| Homo sapiens | DU-145 | GI50 | 0.21 | ug.mL-1 | 10.1021/np058087v |
| Homo sapiens | KM-20L2 | GI50 | 1.2 | ug.mL-1 | 10.1021/np058087v |
| Homo sapiens | MCF7 | GI50 | 0.82 | ug.mL-1 | 10.1021/np058087v |
| Homo sapiens | NCI-H460 | GI50 | 0.17 | ug.mL-1 | 10.1021/np058087v |
| Homo sapiens | SF-268 | GI50 | 1.8 | ug.mL-1 | 10.1021/np058087v |
| Mus musculus | P388 | GI50 | 2.8 | ug.mL-1 | 10.1021/np058087v |
| None | Unchecked | IC50 | nan | None | 10.1016/j.bmcl.2017.12.014 |
| None | Unchecked | Inhibition | 1.6 | % | 10.1016/j.bmcl.2017.12.014 |