Cryptostyline II; (S)-form
AlkaPlorer ID: AK293304
Synonym: None
IUPAC Name: 1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Structure
SMILES: COC1=CC=C(C2C3=CC(OC)=C(OC)C=C3CCN2C)C=C1OC
InChI: InChI=1S/C20H25NO4/c1-21-9-8-13-10-18(24-4)19(25-5)12-15(13)20(21)14-6-7-16(22-2)17(11-14)23-3/h6-7,10-12,20H,8-9H2,1-5H3
InChIKey: KYWZIVDVIANHDJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 343.42300000000006
TPSA？: 40.16
MolLogP？: 3.298300000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Nicotinic acetylcholine receptor alpha-4/beta-2 | IC50 | 300000.0 | nM | 10.1021/jm4013592 |
| Rattus norvegicus | Neuronal acetylcholine receptor; alpha4/beta2 | Ki | 300000.0 | nM | 10.1021/jm4013592 |