Secantioquine
AlkaPlorer ID: AK170069
Synonym: None
IUPAC Name: 4-hydroxy-3-[5-[[(1S)-7-hydroxy-6-methoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenyl]benzaldehyde
Structure
SMILES: COC1=CC2=C(C=C1OC1=C(O)C(OC)=CC3=C1[C@H](CC1=CC=C(OC)C(C4=CC(C=O)=CC=C4O)=C1)N(C)CC3)C(=O)N(C)CC2
InChI: InChI=1S/C37H38N2O8/c1-38-12-11-24-18-33(46-5)35(42)36(47-32-19-25-23(17-31(32)45-4)10-13-39(2)37(25)43)34(24)28(38)16-21-7-9-30(44-3)27(14-21)26-15-22(20-40)6-8-29(26)41/h6-9,14-15,17-20,28,41-42H,10-13,16H2,1-5H3/t28-/m0/s1
InChIKey: ZOBAYWQPWZMJPP-NDEPHWFRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 638.7169999999999
TPSA？: 118.0
MolLogP？: 5.795200000000007
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Dopamine transporter | IC50 | 100000.0 | nM | 10.1021/np50124a001 |
| None | Unchecked | Ratio IC50 | 0.1 | None | 10.1021/np50124a001 |