5-methoxyindole-2-carboxylic acid
AlkaPlorer ID: AK026552
Synonym: '5-methoxy-2-indolic acid', '5-Methoxy-2-indolecarboxylic acid'
IUPAC Name: 5-methoxy-1H-indole-2-carboxylic acid
Structure
SMILES: COC1=CC2=C(C=C1)NC(C(=O)O)=C2
InChI: InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKey: YEBJVSLNUMZXRJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum lycopersicum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 191.186
TPSA？: 62.32000000000001
MolLogP？: 1.8747
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis C virus | NS3 | Kd | 4000.0 | nM | 10.1021/jm0305117 |
| Rattus norvegicus | Glutamate NMDA receptor | Ki | 100000.0 | nM | 10.1021/jm00108a007 |