Secocularidine; Me ether; perchlorate
AlkaPlorer ID: AK108782
Synonym: None
IUPAC Name: N,N-dimethyl-2-(2,3,10-trimethoxybenzo[b][1]benzoxepin-7-yl)ethanamine
Structure
SMILES: COC1=C(OC)C=C2OC3=C(OC)C=CC(CCN(C)C)=C3C=CC2=C1
InChI: InChI=1S/C21H25NO4/c1-22(2)11-10-14-7-9-17(23-3)21-16(14)8-6-15-12-19(24-4)20(25-5)13-18(15)26-21/h6-9,12-13H,10-11H2,1-5H3
InChIKey: ZIEYKOGDJZHQIE-UHFFFAOYSA-N
Reference
Secocularines: a new group of isoquinoline related alkaloids present in the fumariaceae
PubChem CID: 21771742
CAS: 92678-74-5
LOTUS: LTS0262818
NPASS: NPC473934
COCONUT: CNP0263443
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcocapnos crassifolia | Sarcocapnos | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 355.434
TPSA？: 40.16
MolLogP？: 4.092600000000004
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Dopamine transporter | IC50 | 28200.0 | nM | 10.1021/np50124a001 |
| None | Unchecked | Ratio IC50 | 0.8 | None | 10.1021/np50124a001 |
| None | Unchecked | Ratio IC50 | 3.5 | None | 10.1021/np50124a001 |