7,7-Dimethyl-8-oxa-2,14,24-triazahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,10,17(25),18,20,22-nonaen-13-one
| Internal ID | 151f1482-9a2e-433b-88ac-5c6c9518b356 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 7,7-dimethyl-8-oxa-2,14,24-triazahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,10,17(25),18,20,22-nonaen-13-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=CC3=C2N=C4C5=C(CCN4C3=O)C6=CC=CC=C6N5)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=CC3=C2N=C4C5=C(CCN4C3=O)C6=CC=CC=C6N5)C |
| InChI | InChI=1S/C23H19N3O2/c1-23(2)11-9-15-18(28-23)8-7-16-19(15)25-21-20-14(10-12-26(21)22(16)27)13-5-3-4-6-17(13)24-20/h3-9,11,24H,10,12H2,1-2H3 |
| InChI Key | CJGFOGYKZZIKCB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H19N3O2 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.147726857 g/mol |
| Topological Polar Surface Area (TPSA) | 57.70 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of 7,7-Dimethyl-8-oxa-2,14,24-triazahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,10,17(25),18,20,22-nonaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/7cce2a20-86bb-11ee-b002-43842ca64eb1.jpg "2D Structure of 7,7-Dimethyl-8-oxa-2,14,24-triazahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3(12),4(9),5,10,17(25),18,20,22-nonaen-13-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 |
|---|---|---|---|---|
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 97.71% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.28% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.14% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.66% | 98.95% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.46% | 93.40% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 95.03% | 88.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.33% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.61% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.33% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.74% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.08% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.89% | 89.00% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 89.88% | 90.08% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 89.37% | 93.65% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.96% | 91.49% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 88.87% | 85.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.05% | 96.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.41% | 94.75% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.20% | 96.39% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 85.14% | 80.96% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.02% | 97.00% |
| CHEMBL6007 | O75762 | Transient receptor potential cation channel subfamily A member 1 | 84.27% | 92.17% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 83.50% | 85.49% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.46% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.43% | 86.33% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.27% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.35% | 98.75% |
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 | 163040104 |
| LOTUS | LTS0137107 |
| wikiData | Q104961022 |