Roemerine; (S)-form, N-Me
AlkaPlorer ID: AK312630
Synonym: Aporheine N-methosalt, (+)-Roemrefidine
IUPAC Name: 11,11-dimethyl-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaene
Structure
SMILES: C[N+]1(C)CCC2=C3C(=C4OCOC4=C2)C2=CC=CC=C2CC31
InChI: InChI=1S/C19H20NO2/c1-20(2)8-7-13-10-16-19(22-11-21-16)18-14-6-4-3-5-12(14)9-15(20)17(13)18/h3-6,10,15H,7-9,11H2,1-2H3/q+1
InChIKey: NXTWYDPQNKVDLP-UHFFFAOYSA-N
Reference
Bisbenzylisoquinoline Alkaloids from Anisocycla cymosa Roots
PubChem CID: 3452141
CAS: 21153-67-3
LOTUS: LTS0256465
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Papaver dubium | Papaver | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 294.374
TPSA？: 18.46
MolLogP？: 3.312000000000002
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Dopamine D2 receptor | Activity | None | None | 10.1016/j.bmcl.2013.06.078 |