1-acetylindole-3-carboxaldehyde
AlkaPlorer ID: AK027963
Synonym: '22948-94-3', 'N-acetylindole-3-carboxaldehyde', '1-acetyl-3-formylindole'
IUPAC Name: 1-acetylindole-3-carbaldehyde
Structure
SMILES: CC(=O)N1C=C(C=O)C2=CC=CC=C21
InChI: InChI=1S/C11H9NO2/c1-8(14)12-6-9(7-13)10-4-2-3-5-11(10)12/h2-7H,1H3
InChIKey: LCJLFGSKHBDOAY-UHFFFAOYSA-N
Reference
PubChem CID: 89915
CAS: 22948-94-3
LOTUS: LTS0245759
SuperNatural Ⅲ: SN0201686
COCONUT: CNP0170589
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Solanum lycopersicum | Solanum | Solanaceae | Solanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 187.198
TPSA？: 39.07
MolLogP？: 2.1139
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA polymerase iota | Potency | 100000.0 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 25118.9 | nM | None |
| Leishmania major | Pteridine reductase 1 | Inhibition | nan | % | 10.1021/jm1010572 |