6,7-dimethoxy-1-(4-methoxybenzoyl)-3,4-dihydroisoquinoline
AlkaPlorer ID: AK163870
Synonym: None
IUPAC Name: (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-(4-methoxyphenyl)methanone
Structure
SMILES: COC1=CC=C(C(=O)C2=NCCC3=C2C=C(OC)C(OC)=C3)C=C1
InChI: InChI=1S/C19H19NO4/c1-22-14-6-4-12(5-7-14)19(21)18-15-11-17(24-3)16(23-2)10-13(15)8-9-20-18/h4-7,10-11H,8-9H2,1-3H3
InChIKey: CIYCAXMLCWXOKZ-UHFFFAOYSA-N
Reference
PubChem CID: 2752158
LOTUS: LTS0019237
SuperNatural Ⅲ: SN0046977
NPASS: NPC58661
COCONUT: CNP0298906
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erysimum cuspidatum | Erysimum | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Cyclopia subternata | Cyclopia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.364
TPSA？: 57.120000000000005
MolLogP？: 2.940500000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 87000.0 | nM | 10.1016/s0960-894x(03)00477-3 |
| None | Unchecked | Inhibition | 10.0 | % | 10.1016/s0960-894x(03)00477-3 |
| None | Unchecked | Inhibition | 19.0 | % | 10.1016/s0960-894x(03)00477-3 |
| None | Unchecked | Inhibition | 41.0 | % | 10.1016/s0960-894x(03)00477-3 |