18,20-Dioxa-3,13,24-triazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-1(24),2(10),4,6,8,15,17(21),22-octaen-14-one
| Internal ID | 013a885b-87a0-486a-b0e3-c0fa141cf6ef |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 18,20-dioxa-3,13,24-triazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-1(24),2(10),4,6,8,15,17(21),22-octaen-14-one |
| SMILES (Canonical) | C1CN2C(=NC3=CC4=C(C=C3C2=O)OCO4)C5=C1C6=CC=CC=C6N5 |
| SMILES (Isomeric) | C1CN2C(=NC3=CC4=C(C=C3C2=O)OCO4)C5=C1C6=CC=CC=C6N5 |
| InChI | InChI=1S/C19H13N3O3/c23-19-12-7-15-16(25-9-24-15)8-14(12)21-18-17-11(5-6-22(18)19)10-3-1-2-4-13(10)20-17/h1-4,7-8,20H,5-6,9H2 |
| InChI Key | ROYNNIHWGRMUAU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H13N3O3 |
| Molecular Weight | 331.30 g/mol |
| Exact Mass | 331.09569129 g/mol |
| Topological Polar Surface Area (TPSA) | 66.90 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 18,20-Dioxa-3,13,24-triazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-1(24),2(10),4,6,8,15,17(21),22-octaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/68cb5380-8671-11ee-85f9-69d6c5d8c400.jpg "2D Structure of 18,20-Dioxa-3,13,24-triazahexacyclo[11.11.0.02,10.04,9.015,23.017,21]tetracosa-1(24),2(10),4,6,8,15,17(21),22-octaen-14-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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.81% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.91% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.24% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.83% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.71% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.65% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 93.60% | 88.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.23% | 96.77% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 92.11% | 97.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.50% | 94.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 91.02% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.35% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.21% | 93.99% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.62% | 94.80% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 88.39% | 85.49% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.27% | 80.96% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.88% | 96.39% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 87.51% | 85.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 85.78% | 92.98% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.62% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.14% | 92.62% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.19% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.40% | 98.75% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.05% | 90.08% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.73% | 96.67% |
| CHEMBL240 | Q12809 | HERG | 82.26% | 89.76% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.07% | 93.65% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.97% | 98.46% |
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.
| Euxylophora paraensis |
| PubChem | 135778996 |
| LOTUS | LTS0249275 |
| wikiData | Q105242540 |