7,17,18-Trimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one
| Internal ID | bcb98b6a-5605-40f3-a2ed-ef03b5979365 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 7,17,18-trimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one |
| SMILES (Canonical) | COC1=CC2=C(C=C1)NC3=C2CCN4C3=NC5=CC(=C(C=C5C4=O)OC)OC |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)NC3=C2CCN4C3=NC5=CC(=C(C=C5C4=O)OC)OC |
| InChI | InChI=1S/C21H19N3O4/c1-26-11-4-5-15-13(8-11)12-6-7-24-20(19(12)22-15)23-16-10-18(28-3)17(27-2)9-14(16)21(24)25/h4-5,8-10,22H,6-7H2,1-3H3 |
| InChI Key | IKMLSJDNQBTYKH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H19N3O4 |
| Molecular Weight | 377.40 g/mol |
| Exact Mass | 377.13755610 g/mol |
| Topological Polar Surface Area (TPSA) | 76.20 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of 7,17,18-Trimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/7f0d3250-85dd-11ee-bf75-fb7135d15fdf.jpg "2D Structure of 7,17,18-Trimethoxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-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 | 98.11% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.29% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.10% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.06% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.99% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.48% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.70% | 92.94% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.06% | 98.75% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 93.77% | 96.47% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 93.45% | 85.49% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 93.11% | 92.38% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.99% | 98.95% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.98% | 97.36% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 90.22% | 98.59% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.15% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.52% | 91.11% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 89.50% | 95.70% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 89.02% | 92.98% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.87% | 99.23% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 88.48% | 95.12% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 87.87% | 96.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 87.43% | 92.67% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.52% | 93.31% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 85.64% | 97.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.38% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.15% | 86.33% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 84.63% | 96.39% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.15% | 95.53% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 83.93% | 96.67% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.54% | 93.65% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.96% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 82.33% | 91.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.89% | 94.75% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 81.48% | 99.23% |
| CHEMBL4158 | P49327 | Fatty acid synthase | 80.27% | 82.50% |
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.
| Esenbeckia grandiflora |
| Euxylophora paraensis |
| PubChem | 135778997 |
| LOTUS | LTS0204976 |
| wikiData | Q104168879 |