5-hydroxy-1H-indole-3-carboxylic acid methyl ester
AlkaPlorer ID: AK057096
Synonym: None
IUPAC Name: methyl 5-hydroxy-1H-indole-3-carboxylate
Structure
SMILES: COC(=O)C1=CNC2=CC=C(O)C=C12
InChI: InChI=1S/C10H9NO3/c1-14-10(13)8-5-11-9-3-2-6(12)4-7(8)9/h2-5,11-12H,1H3
InChIKey: LRAADKIIEUFKEG-UHFFFAOYSA-N
Reference
Hyrtiazepine, an Azepino-indole-Type Alkaloid from the Red Sea Marine Sponge <i>Hyrtios erectus</i>
PubChem CID: 14144546
CAS: 112332-96-4
LOTUS: LTS0162430
COCONUT: CNP0201082
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyrtios erectus | Hyrtios | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 191.186
TPSA？: 62.32000000000001
MolLogP？: 1.6600999999999997
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 1046100.0 | nM | 10.1016/j.bmcl.2009.01.017 |
| Candida albicans | Isocitrate lyase | IC50 | 100.0 | ug.mL-1 | 10.1016/j.bmcl.2010.10.029 |
| Candida albicans | Isocitrate lyase | IC50 | 799770.0 | nM | 10.1016/j.bmcl.2009.01.017 |
| Mus musculus | L5178Y | IC50 | 52.0 | nM | 10.1016/j.ejmech.2021.113491 |
| Mus musculus | L5178Y | Inhibition | 36.0 | % | 10.1016/j.ejmech.2021.113491 |
| Staphylococcus aureus | Sortase A | IC50 | 100.0 | ug.mL-1 | 10.1016/j.bmcl.2010.10.029 |