beta-erythroidine
AlkaPlorer ID: AK009534
Synonym: '', 'beta-Erythroidine', '(+)-beta-erythroidine', '12,13-didehydro-13,14-dihydro-alpha-erythroidine'
IUPAC Name: (1S,16R)-16-methoxy-5-oxa-10-azatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one
Structure
SMILES: CO[C@H]1C=CC2=CCN3CCC4=C(CC(=O)OC4)[C@]23C1
InChI: InChI=1S/C16H19NO3/c1-19-13-3-2-12-5-7-17-6-4-11-10-20-15(18)8-14(11)16(12,17)9-13/h2-3,5,13H,4,6-10H2,1H3/t13-,16-/m0/s1
InChIKey: PXWINCSLFXUWBZ-BBRMVZONSA-N
Reference
PubChem CID: 10074
CAS: 466-81-9
LOTUS: LTS0271196
SuperNatural Ⅲ: SN0298099-01
NPASS: NPC241426
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erythrina berteroana | Erythrina | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Erythrina americana | Erythrina | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Bulla gouldiana | Bulla | Bullidae | Cephalaspidea | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 273.332
TPSA？: 38.77
MolLogP？: 1.5893000000000002
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Neuronal acetylcholine receptor; alpha4/beta2 | Ki | 1100.0 | nM | 10.1021/ml500094c |