Decarine
AlkaPlorer ID: AK005833
Synonym: None
IUPAC Name: 1-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-2-ol
Structure
SMILES: COC1=C(O)C=CC2=C3C=CC4=CC5=C(C=C4C3=NC=C12)OCO5
InChI: InChI=1S/C19H13NO4/c1-22-19-14-8-20-18-12(11(14)4-5-15(19)21)3-2-10-6-16-17(7-13(10)18)24-9-23-16/h2-8,21H,9H2,1H3
InChIKey: GJJFWGQGJJGJEO-UHFFFAOYSA-N
Reference
Secondary Metabolites and Cytotoxic Activities from the Stem Bark of <i>Zanthoxylum nitidum</i>
PubChem CID: 179640
CAS: 54354-62-0
LOTUS: LTS0167145
SuperNatural Ⅲ: SN0107317
COCONUT: CNP0225695
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum nitidum | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 319.3160000000001
TPSA？: 60.81
MolLogP？: 3.9841000000000015
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | Activity | nan | None | 10.1021/np030417t |
| Cryptococcus neoformans | Cryptococcus neoformans | Activity | nan | None | 10.1021/np030417t |
| Mus musculus | RAW264.7 | IC50 | 48400.0 | nM | 10.1016/j.ejmech.2021.113165 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 3.1 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 3.1 | ug.mL-1 | 10.1016/j.ejmech.2022.114173 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 880.0 | nM | 10.1021/np030417t |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1440.0 | nM | 10.1021/np030417t |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np030417t |
| None | NON-PROTEIN TARGET | IC50 | 1.29 | ug.mL-1 | 10.1021/np800689b |
| None | NON-PROTEIN TARGET | IC50 | 1.94 | ug.mL-1 | 10.1021/np800689b |