Indoline
AlkaPlorer ID: AK004671
Synonym: None
IUPAC Name: 2,3-dihydro-1H-indole
Structure
SMILES: C1CNC2=CC=CC=C21
InChI: InChI=1S/C8H9N/c1-2-4-8-7(3-1)5-6-9-8/h1-4,9H,5-6H2
InChIKey: LPAGFVYQRIESJQ-UHFFFAOYSA-N
Reference
Structure of echitoserpine, a new alkaloid of the fruits of Alstonia venenata
PubChem CID: 176384293
CAS: 18474-60-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia venenata | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 119.16699999999996
TPSA？: 12.03
MolLogP？: 1.6545999999999998
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase | Activity | nan | None | 10.1021/jm061471k |
| Mus musculus | RAW264.7 | Activity | 90.4 | % | 10.1021/acs.jmedchem.8b00001 |
| None | Unchecked | Activity | nan | None | 10.1021/jm061471k |