(4aS,9aR)-1-ethyl-4aH,9H,9aH-pyrido[3,4-b]indole
AlkaPlorer ID: AK122312
Synonym: None
IUPAC Name: (4aS,9aR)-1-ethyl-9,9a-dihydro-4aH-pyrido[3,4-b]indole
Structure
SMILES: CCC1=NC=C[C@H]2C3=CC=CC=C3N[C@@H]12
InChI: InChI=1S/C13H14N2/c1-2-11-13-10(7-8-14-11)9-5-3-4-6-12(9)15-13/h3-8,10,13,15H,2H2,1H3/t10-,13+/m0/s1
InChIKey: JQCCOYPIJNWHDP-GXFFZTMASA-N
Reference
Alkaloids and quassinoids of Brucea mollis var. tonkinensis
PubChem CID: 162925977
LOTUS: LTS0041236
SuperNatural Ⅲ: SN0172208-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brucea mollis | Brucea | Simaroubaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 198.269
TPSA？: 24.39
MolLogP？: 2.9426000000000005
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|