(13,24-Dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl) hydrogen sulfate
| Internal ID | 4bf86066-59d0-45c1-a3a3-ca0414210ba4 |
| Taxonomy | Alkaloids and derivatives > Benzophenanthridine alkaloids > Hexahydrobenzophenanthridine alkaloids |
| IUPAC Name | (13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl) hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H21NO8S/c1-21-14-3-4-15-19(29-10-26-15)13(14)8-22(2)20(21)12-7-17-16(27-9-28-17)5-11(12)6-18(21)30-31(23,24)25/h3-5,7,18,20H,6,8-10H2,1-2H3,(H,23,24,25) |
| InChI Key | NOTJGICZOQVGSA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H21NO8S |
| Molecular Weight | 447.50 g/mol |
| Exact Mass | 447.09878780 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (13,24-Dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl) hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/2d067220-8598-11ee-b90a-894a5fe34163.jpg "2D Structure of (13,24-Dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl) hydrogen sulfate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.54% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.94% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.45% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.40% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.29% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.33% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.54% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.15% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.11% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.75% | 97.25% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.98% | 93.40% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.86% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.81% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.93% | 89.00% |
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.
| Corydalis incisa |
| PubChem | 73806753 |
| LOTUS | LTS0221821 |
| wikiData | Q105182762 |