(3R,4R)-8-hydroxy-3,4-dimethoxy-5-methyl-5,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1,7,9,11,13(21),14,16,18-octaen-6-one
| Internal ID | 2d21c389-bd42-474d-bba9-c3c87d51a4ee |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Pyridoacridines > Pyrido[2,3,4-kl]acridines |
| IUPAC Name | (3R,4R)-8-hydroxy-3,4-dimethoxy-5-methyl-5,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1,7,9,11,13(21),14,16,18-octaen-6-one |
| SMILES (Canonical) | CN1C(C(C2=C3C4=C(C=CN=C4C(=C2C1=O)O)C5=CC=CC=C5N3)OC)OC |
| SMILES (Isomeric) | CN1[C@@H]([C@@H](C2=C3C4=C(C=CN=C4C(=C2C1=O)O)C5=CC=CC=C5N3)OC)OC |
| InChI | InChI=1S/C21H19N3O4/c1-24-20(26)15-14(19(27-2)21(24)28-3)16-13-11(8-9-22-17(13)18(15)25)10-6-4-5-7-12(10)23-16/h4-9,19,21,23,25H,1-3H3/t19-,21-/m1/s1 |
| InChI Key | YSEPSUDKMWJQAS-TZIWHRDSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H19N3O4 |
| Molecular Weight | 377.40 g/mol |
| Exact Mass | 377.13755610 g/mol |
| Topological Polar Surface Area (TPSA) | 83.90 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (3R,4R)-8-hydroxy-3,4-dimethoxy-5-methyl-5,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1,7,9,11,13(21),14,16,18-octaen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/cb20e0f0-856c-11ee-861d-31d564a47015.jpg "2D Structure of (3R,4R)-8-hydroxy-3,4-dimethoxy-5-methyl-5,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1,7,9,11,13(21),14,16,18-octaen-6-one")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.41% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.80% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.37% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.86% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 96.06% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.49% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.22% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.81% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.89% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.61% | 85.14% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 92.22% | 96.47% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 91.78% | 96.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 91.43% | 97.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.67% | 98.59% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 89.21% | 92.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.19% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.40% | 98.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.78% | 93.65% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.26% | 90.08% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.70% | 96.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.33% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.13% | 93.99% |
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.
| There are no matching plants. |
| PubChem | 10872529 |
| LOTUS | LTS0122261 |
| wikiData | Q105359545 |