Atherosperminine
AlkaPlorer ID: AK037419
Synonym: 3,4-Dimethoxy-N,N-dimethyl-1-phenanthreneethanamine, 1-Dimethylaminoethyl-3,4-dimethoxyphenanthrene
IUPAC Name: 2-(3,4-dimethoxyphenanthren-1-yl)-N,N-dimethylethanamine
Structure
SMILES: COC1=C(OC)C2=C3C=CC=CC3=CC=C2C(CCN(C)C)=C1
InChI: InChI=1S/C20H23NO2/c1-21(2)12-11-15-13-18(22-3)20(23-4)19-16-8-6-5-7-14(16)9-10-17(15)19/h5-10,13H,11-12H2,1-4H3
InChIKey: UZZFAUDNCIFFPM-UHFFFAOYSA-N
Reference
Alcaloïdes des Annonacées, 77. Alcaloïdes de Duguetia spixiana
PubChem CID: 96918
CAS: 121822-39-7
LOTUS: LTS0197739
SuperNatural Ⅲ: SN0384689
NPASS: NPC142116
COCONUT: CNP0321627
data_source: manually
Source
Properties Information
Molecule Weight: 309.409
TPSA？: 21.700000000000003
MolLogP？: 4.114300000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Electrophorus electricus | Acetylcholinesterase | IC50 | nan | None | 10.1016/j.bmc.2016.07.043 |
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 2.06 | % | 10.1016/j.bmc.2016.07.043 |
| Equus caballus | Cholinesterase | IC50 | 19340.0 | nM | 10.1016/j.bmc.2016.07.043 |
| Equus caballus | Cholinesterase | Inhibition | 83.87 | % | 10.1016/j.bmc.2016.07.043 |
| Rattus norvegicus | Dopamine D1 receptor | Ki | 2917.43 | nM | 10.1016/j.bmcl.2013.06.078 |
| Rattus norvegicus | Dopamine D1 receptor | Ki | 2944.0 | nM | 10.1016/j.bmcl.2013.06.078 |
| Rattus norvegicus | Dopamine D2 receptor | Ki | 320.63 | nM | 10.1016/j.bmcl.2013.06.078 |
| Rattus norvegicus | Dopamine D2 receptor | Ki | 323.0 | nM | 10.1016/j.bmcl.2013.06.078 |
| None | Unchecked | Ratio Ki | 9.1 | None | 10.1016/j.bmcl.2013.06.078 |