indole-5-carboxylic acid
AlkaPlorer ID: AK100789
Synonym: None
IUPAC Name: 1H-indole-5-carboxylic acid
Structure
SMILES: O=C(O)C1=CC=C2NC=CC2=C1
InChI: InChI=1S/C9H7NO2/c11-9(12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,(H,11,12)
InChIKey: IENZCGNHSIMFJE-UHFFFAOYSA-N
Reference
<i>Aloe ferox</i>Leaf Gel Phytochemical Content, Antioxidant Capacity, and Possible Health Benefits
PubChem CID: 74280
CAS: 142396-03-0
LOTUS: LTS0124189
COCONUT: CNP0083028
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aloe africana | Aloe | Asphodelaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 161.16
TPSA？: 53.09
MolLogP？: 1.8661
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 29.05 | % | 10.1016/j.bmcl.2012.02.057 |
| Klebsiella pneumoniae | OXA-48 | IC50 | 1390000.0 | nM | 10.1021/acs.jmedchem.6b00660 |
| Klebsiella pneumoniae | OXA-48 | Kd | 1380000.0 | nM | 10.1021/acs.jmedchem.6b00660 |