(13S)-2,3-dimethoxy-12-methyl-13-(trichloromethyl)-13H-[1,3]benzodioxolo[5,6-c]phenanthridine
| Internal ID | 4e5f34ef-456f-443e-baef-22e77b1ac508 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | (13S)-2,3-dimethoxy-12-methyl-13-(trichloromethyl)-13H-[1,3]benzodioxolo[5,6-c]phenanthridine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H18Cl3NO4/c1-26-20-12(5-4-11-6-18-19(7-13(11)20)30-10-29-18)14-8-16(27-2)17(28-3)9-15(14)21(26)22(23,24)25/h4-9,21H,10H2,1-3H3/t21-/m0/s1 |
| InChI Key | QRGVYZWKDZYPOJ-NRFANRHFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H18Cl3NO4 |
| Molecular Weight | 466.70 g/mol |
| Exact Mass | 465.030141 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 6.10 |
| There are no found synonyms. |
![2D Structure of (13S)-2,3-dimethoxy-12-methyl-13-(trichloromethyl)-13H-[1,3]benzodioxolo[5,6-c]phenanthridine](https://plantaedb.com/storage/docs/compounds/2023/11/13s-23-dimethoxy-12-methyl-13-trichloromethyl-13h-13benzodioxolo56-cphenanthridine.jpg "2D Structure of (13S)-2,3-dimethoxy-12-methyl-13-(trichloromethyl)-13H-[1,3]benzodioxolo[5,6-c]phenanthridine")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.05% | 96.77% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 96.12% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.64% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.71% | 96.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 92.42% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.98% | 86.33% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 91.60% | 92.51% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 89.61% | 92.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.56% | 98.95% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 89.27% | 95.12% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.07% | 91.11% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 88.55% | 89.44% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.94% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.74% | 94.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.66% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.43% | 95.89% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 87.10% | 85.49% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.03% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.32% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.21% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.98% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.79% | 93.31% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.10% | 95.78% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.29% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.27% | 98.75% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.99% | 92.38% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Zanthoxylum asiaticum |
| PubChem | 162971990 |
| LOTUS | LTS0094050 |
| wikiData | Q105226294 |