1-(1H-indol-3-yl)ethan-1-one
AlkaPlorer ID: AK117899
Synonym: None
IUPAC Name: 1-(1H-indol-3-yl)ethanone
Structure
SMILES: CC(=O)C1=CNC2=CC=CC=C12
InChI: InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKey: VUIMBZIZZFSQEE-UHFFFAOYSA-N
Reference
Chemical Constituents from <i>Strychnos Cathayensis</i>
PubChem CID: 12802
CAS: 703-80-0
LOTUS: LTS0170796
COCONUT: CNP0402989
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos cathayensis | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 159.188
TPSA？: 32.86
MolLogP？: 2.3705000000000007
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Indoleamine 2,3-dioxygenase | Inhibition | 46.0 | % | 10.1016/j.bmc.2013.10.037 |
| Homo sapiens | Nuclear receptor subfamily 4 group A member 2 | IC50 | nan | None | 10.1021/acs.jmedchem.1c01077 |
| Homo sapiens | Protein polybromo-1 | deltaTm | nan | None | 10.1021/acs.jmedchem.2c00864 |
| Homo sapiens | Protein polybromo-1 | Kd | 1195000.0 | nM | 10.1021/acs.jmedchem.2c00864 |
| None | Molecular identity unknown | Activity | 22.8 | % | 10.1016/j.bmcl.2009.05.118 |