11-(13,13-Dimethyl-4,6,19,21-tetraoxa-13-azoniahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,11,14,16,18(22)-octaen-11-yl)-13,13-dimethyl-4,6,19,21-tetraoxa-13-azoniahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,11,14,16,18(22)-octaene
| Internal ID | 71a94aa2-a173-4db6-9713-186a39cdf20c |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Phenylquinolines > Naphthylquinolines |
| IUPAC Name | 11-(13,13-dimethyl-4,6,19,21-tetraoxa-13-azoniahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,11,14,16,18(22)-octaen-11-yl)-13,13-dimethyl-4,6,19,21-tetraoxa-13-azoniahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,11,14,16,18(22)-octaene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H30N2O8/c1-41(2)11-9-19-13-25-39(49-17-45-25)33-27(19)35(41)29(21-5-7-23-37(31(21)33)47-15-43-23)30-22-6-8-24-38(48-16-44-24)32(22)34-28-20(10-12-42(3,4)36(28)30)14-26-40(34)50-18-46-26/h5-14H,15-18H2,1-4H3/q+2 |
| InChI Key | MCICDJXPRJHXNQ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C40H30N2O8+2 |
| Molecular Weight | 666.70 g/mol |
| Exact Mass | 666.20021592 g/mol |
| Topological Polar Surface Area (TPSA) | 73.80 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
![2D Structure of 11-(13,13-Dimethyl-4,6,19,21-tetraoxa-13-azoniahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,11,14,16,18(22)-octaen-11-yl)-13,13-dimethyl-4,6,19,21-tetraoxa-13-azoniahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,11,14,16,18(22)-octaene](https://plantaedb.com/storage/docs/compounds/2023/11/de9c1380-8621-11ee-ba4a-ab91b176fc36.jpg "2D Structure of 11-(13,13-Dimethyl-4,6,19,21-tetraoxa-13-azoniahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,11,14,16,18(22)-octaen-11-yl)-13,13-dimethyl-4,6,19,21-tetraoxa-13-azoniahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,11,14,16,18(22)-octaene")
| 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 | 98.41% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.86% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.25% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 97.04% | 94.80% |
| CHEMBL240 | Q12809 | HERG | 93.97% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.26% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.69% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.93% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.73% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.69% | 95.56% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 89.85% | 80.96% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.79% | 94.73% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.40% | 85.30% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.25% | 92.62% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.98% | 85.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.97% | 100.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.76% | 93.40% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.02% | 96.00% |
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.
| Dactylicapnos torulosa |
| PubChem | 163192690 |
| LOTUS | LTS0211550 |
| wikiData | Q105161222 |