(16R,20R,23S)-13-methoxy-20,23-dimethyl-1,11,18-triazahexacyclo[10.8.2.116,20.02,7.08,22.015,21]tricosa-2,4,6,8(22),9,11,13,15(21)-octaene-17,19-dione
| Internal ID | 6bf5c9f0-bca9-468f-8f85-cf6cccdf3ab4 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Pyridoacridines > Pyrido[2,3,4-kl]acridines |
| IUPAC Name | (16R,20R,23S)-13-methoxy-20,23-dimethyl-1,11,18-triazahexacyclo[10.8.2.116,20.02,7.08,22.015,21]tricosa-2,4,6,8(22),9,11,13,15(21)-octaene-17,19-dione |
| SMILES (Canonical) | CC1C2C3=C4C5=C(C=CN=C5C(=C3)OC)C6=CC=CC=C6N4C1(C(=O)NC2=O)C |
| SMILES (Isomeric) | C[C@H]1[C@@H]2C3=C4C5=C(C=CN=C5C(=C3)OC)C6=CC=CC=C6N4[C@]1(C(=O)NC2=O)C |
| InChI | InChI=1S/C23H19N3O3/c1-11-17-14-10-16(29-3)19-18-13(8-9-24-19)12-6-4-5-7-15(12)26(20(14)18)23(11,2)22(28)25-21(17)27/h4-11,17H,1-3H3,(H,25,27,28)/t11-,17+,23+/m0/s1 |
| InChI Key | ZOOFKNHZEAAAAK-OVRCFYHRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H19N3O3 |
| Molecular Weight | 385.40 g/mol |
| Exact Mass | 385.14264148 g/mol |
| Topological Polar Surface Area (TPSA) | 71.50 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (16R,20R,23S)-13-methoxy-20,23-dimethyl-1,11,18-triazahexacyclo[10.8.2.116,20.02,7.08,22.015,21]tricosa-2,4,6,8(22),9,11,13,15(21)-octaene-17,19-dione](https://plantaedb.com/storage/docs/compounds/2023/11/34b768c0-85ea-11ee-8653-ede665c7b920.jpg "2D Structure of (16R,20R,23S)-13-methoxy-20,23-dimethyl-1,11,18-triazahexacyclo[10.8.2.116,20.02,7.08,22.015,21]tricosa-2,4,6,8(22),9,11,13,15(21)-octaene-17,19-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 99.88% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.09% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.75% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.36% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.82% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 95.38% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.43% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.21% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.60% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.94% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.96% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 89.50% | 92.97% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.88% | 94.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 88.52% | 85.49% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 87.45% | 96.47% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.12% | 94.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.70% | 89.62% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 84.08% | 89.44% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.89% | 96.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.31% | 90.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 80.23% | 92.67% |
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.
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| There are no matching plants. |
| PubChem | 51346289 |
| LOTUS | LTS0107871 |
| wikiData | Q105380611 |