Secolucidine
AlkaPlorer ID: AK129888
Synonym: None
IUPAC Name: 4-hydroxy-3-[2-methoxy-5-[[(5S)-11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,9,11,15,21-hexaen-5-yl]methyl]phenyl]benzaldehyde
Structure
SMILES: COC1=CC=C(C[C@H]2C3=C4OC5=CC6=C(C=C5OC4=C(OC)C=C3CCN2C)CCN(C)C6=O)C=C1C1=CC(C=O)=CC=C1O
InChI: InChI=1S/C36H34N2O7/c1-37-11-10-23-17-32(43-4)34-35(45-31-18-24-22(16-30(31)44-34)9-12-38(2)36(24)41)33(23)27(37)15-20-6-8-29(42-3)26(13-20)25-14-21(19-39)5-7-28(25)40/h5-8,13-14,16-19,27,40H,9-12,15H2,1-4H3/t27-/m0/s1
InChIKey: IPZZJEUUDCPILE-MHZLTWQESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 606.6750000000004
TPSA？: 97.77
MolLogP？: 6.186700000000006
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 7
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 | 0.8 | None | 10.1021/np50124a001 |