608-08-2
AlkaPlorer ID: AK094691
Synonym: None
IUPAC Name: 1H-indol-3-yl acetate
Structure
SMILES: CC(=O)OC1=CNC2=CC=CC=C12
InChI: InChI=1S/C10H9NO2/c1-7(12)13-10-6-11-9-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKey: JBOPQACSHPPKEP-UHFFFAOYSA-N
Reference
Chemical Constituents from <i>Strychnos Cathayensis</i>
PubChem CID: 11841
CAS: 608-08-2
LOTUS: LTS0136342
COCONUT: CNP0174179
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Strychnos cathayensis | Strychnos | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 175.187
TPSA？: 42.09
MolLogP？: 2.0931999999999995
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Solute carrier family 22 member 6 | IC50 | 83000.0 | nM | 10.1038/sj.bjp.0704482 |
| Homo sapiens | Solute carrier family 22 member 6 | Km | 14000.0 | nM | 10.1111/j.1523-1755.2004.00354.x |
| Homo sapiens | Solute carrier family 22 member 8 | Ki | 491000.0 | nM | 10.1111/j.1523-1755.2004.00354.x |
| Rattus norvegicus | Solute carrier family 22 member 8 | Activity | 51.2 | % | 10.1046/j.1523-1755.2002.00318.x |
| Rattus norvegicus | Solute carrier family 22 member 8 | Ki | 582000.0 | nM | 10.1111/j.1523-1755.2004.00354.x |