Dictamnine
AlkaPlorer ID: AK000865
Synonym: None
IUPAC Name: 4-methoxyfuro[2,3-b]quinoline
Structure
SMILES: COC1=C2C=COC2=NC2=CC=CC=C12
InChI: InChI=1S/C12H9NO2/c1-14-11-8-4-2-3-5-10(8)13-12-9(11)6-7-15-12/h2-7H,1H3
InChIKey: WIONIXOBNMDJFJ-UHFFFAOYSA-N
Reference
PubChem CID: 68085
CAS: 484-29-7
LOTUS: LTS0266561
SuperNatural Ⅲ: SN0370324
COCONUT: CNP0159011
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Zanthoxylum avicennae | Zanthoxylum | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 199.209
TPSA？: 35.260000000000005
MolLogP？: 2.989600000000001
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 100.0 | ug.mL-1 | 10.1021/np000012y |
| Candida albicans | Candida albicans | Activity | nan | None | 10.1021/np000012y |
| Cricetulus griseus | CHO | Activity | 0.0 | % | 10.1021/np50028a027 |
| Cricetulus griseus | CHO | Activity | 3.4 | % | 10.1021/np50028a027 |
| Cricetulus griseus | CHO | Activity | 50.6 | % | 10.1021/np50028a027 |
| Cricetulus griseus | CHO | Activity | 60.0 | % | 10.1021/np50028a027 |
| Cricetulus griseus | CHO | Activity | 82.4 | % | 10.1021/np50028a027 |
| Cricetulus griseus | CHO | Activity | nan | None | 10.1021/np50028a027 |
| Homo sapiens | Acetylcholinesterase | IC50 | nan | None | 10.1007/s00044-011-9581-9 |
| Homo sapiens | Acetylcholinesterase | Inhibition | 12.6 | % | 10.1007/s00044-011-9581-9 |
| Homo sapiens | CAL-27 | IC50 | 19.7 | ug.mL-1 | 10.1021/acs.jnatprod.1c00501 |
| Homo sapiens | HepG2 | IC50 | 55200.0 | nM | 10.1016/j.ejmech.2011.10.047 |
| Homo sapiens | Raji | Activity | 60.0 | % | 10.1021/np0000318 |
| Homo sapiens | Raji | Activity | 80.0 | % | 10.1021/np0000318 |
| Homo sapiens | SCC-9 | IC50 | 27.8 | ug.mL-1 | 10.1021/acs.jnatprod.1c00501 |
| Homo sapiens | SCC-9 | Inhibition | nan | % | 10.1021/acs.jnatprod.1c00501 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B1 | Inhibition | 151.55 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B3 | Inhibition | 118.57 | % | 10.1124/mol.112.084152 |
| Mus musculus | N1E-115 | BK | 31.0 | % | 10.1021/jm001007u |
| Mus musculus | N1E-115 | BNa | 0.0 | % | 10.1021/jm001007u |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 22387.2 | nM | None |
| Mus musculus | Voltage-gated potassium channel subunit Kv1.3 | BK | 23.0 | % | 10.1021/jm001007u |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 30.0 | ug.mL-1 | 10.1021/np700719e |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 100.0 | ug.mL-1 | 10.1021/np000012y |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 3.21 | ug/mg/day | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 6.81 | % | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 9.1 | % | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 9.49 | ug/mg/day | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 9.73 | % | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 9.78 | % | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 10.42 | % | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 12.08 | ug/mg/day | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 14.32 | ug/mg/day | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 15.71 | ug/mg/day | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 35.13 | ug/mg/day | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 52.65 | ug/mg/day | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 86.75 | ug/mg/day | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 110.95 | ug/mg/day | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | 126.78 | ug/mg/day | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | Activity | nan | None | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | EC50 | 91.7 | ppm | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | FDI | 9.69 | % | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | FDI | 17.87 | % | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | FDI | 30.99 | % | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | FDI | 51.77 | % | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | FDI | 68.04 | % | 10.1021/jf010838l |
| Sitophilus zeamais | Sitophilus zeamais | mortality | 0.0 | % | 10.1021/jf010838l |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np000012y |
| Tribolium castaneum | Tribolium castaneum | Activity | 6.45 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 7.08 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 13.49 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 13.81 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 17.43 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 17.88 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 18.07 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 18.35 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 19.14 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 19.8 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 19.91 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 20.27 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 20.53 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 21.25 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 22.21 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 27.3 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 29.56 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 31.75 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 47.56 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 52.88 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 59.8 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 84.83 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 101.27 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 123.74 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 129.71 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 132.89 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 168.23 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 213.17 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | 254.2 | ug/mg/day | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | Activity | nan | None | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | EC50 | 47.9 | ppm | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | EC50 | 57.6 | ppm | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | FDI | 4.59 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | FDI | 7.31 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | FDI | 17.06 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | FDI | 21.77 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | FDI | 32.38 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | FDI | 38.52 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | FDI | 59.58 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | FDI | 64.42 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | FDI | 81.24 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | FDI | 82.21 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | mortality | 0.0 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | mortality | 2.0 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | mortality | 4.0 | % | 10.1021/jf010838l |
| Tribolium castaneum | Tribolium castaneum | mortality | 13.2 | % | 10.1021/jf010838l |
| None | ADMET | AUC | 0.1 | ng.hr.mL-1 | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | AUC | 1.0 | ng.hr.mL-1 | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | AUC | 8.0 | ng.hr.mL-1 | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | AUC | 9.4 | ng.hr.mL-1 | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | AUC | 23.2 | ng.hr.mL-1 | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | AUC | 24.5 | ng.hr.mL-1 | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | AUC | 24.8 | ng.hr.mL-1 | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | AUC | 31.4 | ng.hr.mL-1 | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | CL | 15.0 | mL.min-1.kg-1 | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | Cmax | 1.004 | nM | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | Cmax | 9.538 | nM | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | Cmax | 19.08 | nM | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | Cmax | 21.08 | nM | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | Cmax | 170.67 | nM | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | Drug recovery | 85.0 | % | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | F | 3.9 | % | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | MRT | 0.4 | hr | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | MRT | 0.5 | hr | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | MRT | 3.6 | hr | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | MRT | 11.7 | hr | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | Stability | 85.0 | % | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | T1/2 | 0.4 | hr | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | T1/2 | 2.6 | hr | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | T1/2 | 5.2 | hr | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | Tmax | 0.2 | hr | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | Tmax | 0.3 | hr | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | Tmax | 0.4 | hr | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | Tmax | 0.5 | hr | 10.1021/acs.jnatprod.1c00501 |
| None | ADMET | Vd | 0.6 | L.kg-1 | 10.1021/acs.jnatprod.1c00501 |
| None | NON-PROTEIN TARGET | IC50 | 50000.0 | nM | 10.1021/np070594k |
| None | Unchecked | Activity | 20.5 | % | 10.1021/np0000318 |
| None | Unchecked | Activity | 49.1 | % | 10.1021/np0000318 |
| None | Unchecked | Activity | 76.0 | % | 10.1021/np0000318 |
| None | Unchecked | Activity | 100.0 | % | 10.1021/np0000318 |
| None | Unchecked | Potency | 12589.3 | nM | None |