Dihydronitidine
AlkaPlorer ID: AK004568
Synonym: 12,13-Dihydro-2,3-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridine
IUPAC Name: 2,3-dimethoxy-12-methyl-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
Structure
SMILES: COC1=CC2=C(C=C1OC)C1=C(C3=CC4=C(C=C3C=C1)OCO4)N(C)C2
InChI: InChI=1S/C21H19NO4/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/h4-9H,10-11H2,1-3H3
InChIKey: MTVOSXTZNVKGIF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum nitidum | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Toddalia | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Zanthoxylum myriacanthum | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 349.38600000000014
TPSA？: 40.16
MolLogP？: 4.202500000000003
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 6610.0 | nM | 10.1016/j.bmcl.2015.05.031 |
| Homo sapiens | HL-60 | IC50 | 4510.0 | nM | 10.1016/j.bmcl.2015.05.031 |
| Mus musculus | P388 | Activity | nan | None | 10.1021/np50054a014 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.0c00564 |
| None | Unchecked | IC50 | 6700.0 | nM | 10.1021/acs.jnatprod.0c00564 |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jnatprod.0c00564 |