1,2-Dihydroxyaporphine; (R)-form, Di-Me ether
AlkaPlorer ID: AK296007
Synonym: 1,2-Dimethoxyaporphine, Nuciferine, Sanjoinine E
IUPAC Name: 1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
Structure
SMILES: COC1=C(OC)C2=C3C(=C1)CCN(C)C3CC1=CC=CC=C12
InChI: InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3
InChIKey: ORJVQPIHKOARKV-UHFFFAOYSA-N
Reference
Aporphine alkaloids and lignans formed in response to injury of sapwood in Liriodendron tulipifera
PubChem CID: 3108374
CAS: 475-83-2
LOTUS: LTS0249488
NPASS: NPC326316
COCONUT: CNP0314435.3
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nelumbo nucifera | Nelumbo | Nelumbonaceae | Proteales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Colubrina | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Nelumbo lutea | Nelumbo | Nelumbonaceae | Proteales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Colubrina | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 295.382
TPSA？: 21.700000000000003
MolLogP？: 3.4559000000000024
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Dopamine D2 receptor | Ki | 173.78 | nM | 10.1016/j.ejmech.2020.112792 |
| Rattus norvegicus | Dopamine D1 receptor | Ki | 587.49 | nM | 10.1016/j.bmcl.2013.06.078 |
| Rattus norvegicus | Dopamine D1 receptor | Ki | 630.0 | nM | 10.1016/j.bmcl.2013.06.078 |
| Rattus norvegicus | Dopamine D2 receptor | Ki | 173.38 | nM | 10.1016/j.bmcl.2013.06.078 |
| Rattus norvegicus | Dopamine D2 receptor | Ki | 209.0 | nM | 10.1016/j.bmcl.2013.06.078 |