18-Methoxy-3-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one
| Internal ID | a0d271f4-968a-498f-9204-d774097b8a31 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 18-methoxy-3-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one |
| SMILES (Canonical) | CN1C2=CC=CC=C2C3=C1C4=NC5=C(C=CC(=C5)OC)C(=O)N4CC3 |
| SMILES (Isomeric) | CN1C2=CC=CC=C2C3=C1C4=NC5=C(C=CC(=C5)OC)C(=O)N4CC3 |
| InChI | InChI=1S/C20H17N3O2/c1-22-17-6-4-3-5-13(17)14-9-10-23-19(18(14)22)21-16-11-12(25-2)7-8-15(16)20(23)24/h3-8,11H,9-10H2,1-2H3 |
| InChI Key | YFMCREKVCFVQPL-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H17N3O2 |
| Molecular Weight | 331.40 g/mol |
| Exact Mass | 331.132076794 g/mol |
| Topological Polar Surface Area (TPSA) | 46.80 Ų |
| XlogP | 3.00 |
| There are no found synonyms. |
![2D Structure of 18-Methoxy-3-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/27d304a0-85d4-11ee-a97b-ad48563e0f64.jpg "2D Structure of 18-Methoxy-3-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-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 | 99.13% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.10% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 96.88% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.50% | 94.00% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 95.14% | 92.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.59% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.44% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.09% | 98.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 93.78% | 93.65% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.86% | 90.00% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 92.50% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.68% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.98% | 99.23% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 88.72% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.39% | 98.75% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 88.16% | 96.67% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 88.12% | 91.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 88.04% | 98.59% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.55% | 99.15% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.16% | 91.49% |
| CHEMBL1913 | P09619 | Platelet-derived growth factor receptor beta | 85.41% | 95.70% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.32% | 91.11% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 84.89% | 85.49% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.28% | 97.36% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.25% | 92.62% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.87% | 91.96% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.54% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.92% | 100.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.57% | 97.00% |
| CHEMBL2094121 | P14867 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 80.36% | 95.50% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.32% | 93.31% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 10404440 |
| LOTUS | LTS0126176 |
| wikiData | Q105347676 |