methyl 5-{1H,2H,3H,4H,5H,6H-azepino[4,5-b]indol-5-yl}pyridine-3-carboxylate
AlkaPlorer ID: AK180783
Synonym: None
IUPAC Name: methyl 5-[(5S)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-5-yl]pyridine-3-carboxylate
Structure
SMILES: COC(=O)C1=CN=CC([C@H]2CNCCC3=C2NC2=CC=CC=C32)=C1
InChI: InChI=1S/C19H19N3O2/c1-24-19(23)13-8-12(9-21-10-13)16-11-20-7-6-15-14-4-2-3-5-17(14)22-18(15)16/h2-5,8-10,16,20,22H,6-7,11H2,1H3/t16-/m1/s1
InChIKey: PLYVTBWVFRXKTQ-MRXNPFEDSA-N
Reference
The Constituents of <i>Nauclea</i><i>diderrichii</i>. Part III. Indole-Pyridine Alkaloids
PubChem CID: 162871486
LOTUS: LTS0117532
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nauclea diderrichii | Nauclea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 321.38
TPSA？: 67.00999999999999
MolLogP？: 2.6271000000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|