Nitidine
AlkaPlorer ID: AK433942
Synonym: None
IUPAC Name: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
Structure
SMILES: COC1=CC2=C[N+](C)=C3C4=CC5=C(C=C4C=CC3=C2C=C1OC)OCO5
InChI: InChI=1S/C21H18NO4/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22/h4-10H,11H2,1-3H3/q+1
InChIKey: KKMPSGJPCCJYRV-UHFFFAOYSA-N
Reference
PubChem CID: 4501
CAS: 13063-04-2
LOTUS: LTS0077169
SuperNatural Ⅲ: SN0188071
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum nitidum | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 348.37800000000016
TPSA？: 40.8
MolLogP？: 3.7166000000000015
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DOPA decarboxylase | IC50 | 1340000.0 | nM | 10.1016/j.bmcl.2014.04.047 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 12.5 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 12.5 | ug.mL-1 | 10.1016/j.ejmech.2022.114173 |