Ethyl Indole-3-carboxylate
AlkaPlorer ID: AK007340
Synonym: None
IUPAC Name: ethyl 1H-indole-3-carboxylate
Structure
SMILES: CCOC(=O)C1=CNC2=CC=CC=C21
InChI: InChI=1S/C11H11NO2/c1-2-14-11(13)9-7-12-10-6-4-3-5-8(9)10/h3-7,12H,2H2,1H3
InChIKey: XOUHVMVYFOXTMN-UHFFFAOYSA-N
Reference
Monoindole alkaloids from a marine sponge Mycale fibrexilis
PubChem CID: 247965
CAS: 776-41-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycale fibrexilis | Mycale | Mycalidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 189.214
TPSA？: 42.09
MolLogP？: 2.3446000000000007
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 | Nuclear receptor subfamily 4 group A member 2 | IC50 | None | None | 10.1021/acs.jmedchem.1c01077 |