32387-21-6
AlkaPlorer ID: AK083447
Synonym: None
IUPAC Name: 1-methylindole-3-carboxylic acid
Structure
SMILES: CN1C=C(C(=O)O)C2=CC=CC=C21
InChI: InChI=1S/C10H9NO2/c1-11-6-8(10(12)13)7-4-2-3-5-9(7)11/h2-6H,1H3,(H,12,13)
InChIKey: HVRCLXXJIQTXHC-UHFFFAOYSA-N
Reference
Wasalexins A and B, new phytoalexins from wasabi: Isolation, synthesis, and antifungal activity
PubChem CID: 854040
CAS: 32387-21-6
LOTUS: LTS0143203
COCONUT: CNP0353664
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Eutrema japonicum | Eutrema | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 175.18699999999998
TPSA？: 42.23
MolLogP？: 1.8765
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Leishmania major | Pteridine reductase 1 | Inhibition | None | % | 10.1021/jm1010572 |