17,18-Dimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
| Internal ID | 420deb72-9a8c-4185-8498-c76c663398ea |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 17,18-dimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C(=O)N3CCC4=C(C3=N2)NC5=CC=CC=C45)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)C(=O)N3CCC4=C(C3=N2)NC5=CC=CC=C45)OC |
| InChI | InChI=1S/C20H17N3O3/c1-25-16-9-13-15(10-17(16)26-2)22-19-18-12(7-8-23(19)20(13)24)11-5-3-4-6-14(11)21-18/h3-6,9-10,21H,7-8H2,1-2H3 |
| InChI Key | SXNKSFFHUZYVSN-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H17N3O3 |
| Molecular Weight | 347.40 g/mol |
| Exact Mass | 347.12699141 g/mol |
| Topological Polar Surface Area (TPSA) | 66.90 Ų |
| XlogP | 3.00 |
| BDBM50131041 |
| 2,3-Dimethoxy-8,13-dihydro-7H-indolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-5-one |
![2D Structure of 17,18-Dimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/5eb3b570-856b-11ee-8392-77bf4edb16f7.jpg "2D Structure of 17,18-Dimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.17% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.94% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.81% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.52% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.08% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.01% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.03% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.89% | 96.09% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 91.14% | 92.98% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.01% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.87% | 86.33% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 90.82% | 92.38% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 90.69% | 85.49% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 88.20% | 96.47% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 87.75% | 95.70% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 87.62% | 92.67% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 87.24% | 96.39% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.49% | 92.94% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 85.77% | 96.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.47% | 94.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 85.36% | 98.59% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.16% | 96.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.39% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.92% | 89.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.77% | 93.65% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 83.40% | 92.97% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.26% | 97.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.53% | 97.36% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.90% | 88.56% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 80.82% | 98.00% |
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.
| Euxylophora paraensis |
| PubChem | 136026475 |
| LOTUS | LTS0051905 |
| wikiData | Q105263219 |