7,17,18-Trimethoxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,15,17,19-nonaen-14-one
| Internal ID | 2a4da8e4-df6e-4453-a125-d9d74d9e6a9e |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 7,17,18-trimethoxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,15,17,19-nonaen-14-one |
| SMILES (Canonical) | CN1C2=CC(=C(C=C2C(=O)N3C1=C4C(=C5C=C(C=CC5=N4)OC)C=C3)OC)OC |
| SMILES (Isomeric) | CN1C2=CC(=C(C=C2C(=O)N3C1=C4C(=C5C=C(C=CC5=N4)OC)C=C3)OC)OC |
| InChI | InChI=1S/C22H19N3O4/c1-24-17-11-19(29-4)18(28-3)10-15(17)22(26)25-8-7-13-14-9-12(27-2)5-6-16(14)23-20(13)21(24)25/h5-11H,1-4H3 |
| InChI Key | JBTGKPVPCOUOMV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H19N3O4 |
| Molecular Weight | 389.40 g/mol |
| Exact Mass | 389.13755610 g/mol |
| Topological Polar Surface Area (TPSA) | 65.80 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 7,17,18-Trimethoxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,15,17,19-nonaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/87e37fe0-8146-11ee-a488-cbeb34a7b0fb.jpg "2D Structure of 7,17,18-Trimethoxy-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,15,17,19-nonaen-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.34% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.19% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.23% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.18% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.01% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.29% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.65% | 96.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.22% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.15% | 95.56% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 91.86% | 92.38% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 91.25% | 93.31% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 91.24% | 94.42% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.45% | 99.15% |
| CHEMBL202 | P00374 | Dihydrofolate reductase | 90.31% | 89.92% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.95% | 96.67% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.71% | 95.12% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.59% | 97.36% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.48% | 90.00% |
| CHEMBL235 | P37231 | Peroxisome proliferator-activated receptor gamma | 85.10% | 95.39% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.47% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.05% | 94.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.79% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.57% | 93.99% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.57% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.18% | 89.00% |
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 | 162929875 |
| LOTUS | LTS0222549 |
| wikiData | Q105124572 |