Calligonine
AlkaPlorer ID: AK036724
Synonym: '', 'Tetrahydroharman', 'Elaeagnine', 'Calligonine'
IUPAC Name: (1R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Structure
SMILES: C[C@H]1NCCC2=C1NC1=CC=CC=C21
InChI: InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1
InChIKey: LPIJOZBIVDCQTE-MRVPVSSYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Elaeagnus angustifolia | Elaeagnus | Elaeagnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 186.258
TPSA？: 27.82
MolLogP？: 2.374600000000001
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|