Trimethyl 6,8-dioxa-11,20-diazapentacyclo[10.5.3.01,13.02,10.05,9]icosa-2(10),3,5(9),16-tetraene-11,12,16-tricarboxylate
| Internal ID | f38818b1-016f-4476-9e92-c28dc189fada |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | trimethyl 6,8-dioxa-11,20-diazapentacyclo[10.5.3.01,13.02,10.05,9]icosa-2(10),3,5(9),16-tetraene-11,12,16-tricarboxylate |
| SMILES (Canonical) | COC(=O)C1=CC23CCNC(C2CC1)(N(C4=C3C=CC5=C4OCO5)C(=O)OC)C(=O)OC |
| SMILES (Isomeric) | COC(=O)C1=CC23CCNC(C2CC1)(N(C4=C3C=CC5=C4OCO5)C(=O)OC)C(=O)OC |
| InChI | InChI=1S/C22H24N2O8/c1-28-18(25)12-4-7-15-21(10-12)8-9-23-22(15,19(26)29-2)24(20(27)30-3)16-13(21)5-6-14-17(16)32-11-31-14/h5-6,10,15,23H,4,7-9,11H2,1-3H3 |
| InChI Key | GNFYUVRTHDXQNH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24N2O8 |
| Molecular Weight | 444.40 g/mol |
| Exact Mass | 444.15326573 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of Trimethyl 6,8-dioxa-11,20-diazapentacyclo[10.5.3.01,13.02,10.05,9]icosa-2(10),3,5(9),16-tetraene-11,12,16-tricarboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/2adac320-858e-11ee-8d76-055f236cfa4f.jpg "2D Structure of Trimethyl 6,8-dioxa-11,20-diazapentacyclo[10.5.3.01,13.02,10.05,9]icosa-2(10),3,5(9),16-tetraene-11,12,16-tricarboxylate")
| 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 | 99.01% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.78% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.98% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.00% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.92% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.76% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.32% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.00% | 92.62% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.87% | 80.96% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.60% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.60% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.19% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.00% | 82.69% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.68% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.26% | 99.23% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.06% | 94.33% |
| CHEMBL5028 | O14672 | ADAM10 | 82.79% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.86% | 94.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.36% | 97.28% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.88% | 94.80% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.49% | 97.25% |
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.
| Kopsia singapurensis |
| PubChem | 163025535 |
| LOTUS | LTS0063488 |
| wikiData | Q105012387 |