Columbamine
AlkaPlorer ID: AK587390
Synonym: None
IUPAC Name: 3,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-2-ol
Structure
SMILES: COC1=CC2=C(C=C1O)C1=CC3=CC=C(OC)C(OC)=C3C=[N+]1CC2
InChI: InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
InChIKey: YYFOFDHQVIODOQ-UHFFFAOYSA-O
Reference
Cytochrome P3A4 Inhibitors and Other Constituents of <i>Fibraurea tinctoria</i>
PubChem CID: 72310
CAS: 3621-36-1
LOTUS: LTS0111553
SuperNatural Ⅲ: SN0463481
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chasmanthera dependens | Chasmanthera | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.3830000000001
TPSA？: 51.8
MolLogP？: 3.0818000000000003
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 52.73 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Homo sapiens | Cytochrome P450 3A4 | IC50 | 30600.0 | nM | 10.1021/np0704248 |
| Homo sapiens | HaCaT | Activity | nan | None | 10.1016/j.bmc.2019.115093 |
| Homo sapiens | HaCaT | Inhibition | nan | % | 10.1016/j.bmc.2019.115093 |
| Homo sapiens | Lysine-specific histone demethylase 1 | IC50 | 470.0 | nM | 10.1016/j.ejmech.2021.113254 |
| Homo sapiens | Lysine-specific histone demethylase 1 | IC50 | 470.0 | nM | 10.1016/j.ejmech.2022.114143 |
| Homo sapiens | Nuclear factor NF-kappa-B complex | Inhibition | 63.2 | % | 10.1016/j.ejmech.2021.113165 |
| Mus musculus | RAW264.7 | Inhibition | 88.1 | % | 10.1016/j.ejmech.2021.113165 |