2,11-Dimethoxy-14-methyl-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
| Internal ID | a5ef3958-5b35-4837-9df8-a75640abb1f2 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Pyridoindolones |
| IUPAC Name | 2,11-dimethoxy-14-methyl-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione |
| SMILES (Canonical) | CC1C(=O)NC23N1C(=O)C(=CC2(C4=CC=CC=C4N3OC)C(C)(C)C=C)OC |
| SMILES (Isomeric) | CC1C(=O)NC23N1C(=O)C(=CC2(C4=CC=CC=C4N3OC)C(C)(C)C=C)OC |
| InChI | InChI=1S/C21H25N3O4/c1-7-19(3,4)20-12-16(27-5)18(26)23-13(2)17(25)22-21(20,23)24(28-6)15-11-9-8-10-14(15)20/h7-13H,1H2,2-6H3,(H,22,25) |
| InChI Key | LGGAWFXKLUZYBW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H25N3O4 |
| Molecular Weight | 383.40 g/mol |
| Exact Mass | 383.18450629 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 2,11-Dimethoxy-14-methyl-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9b597bc0-8772-11ee-a723-595f62573651.jpg "2D Structure of 2,11-Dimethoxy-14-methyl-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.99% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.50% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.28% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.56% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.35% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.52% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.54% | 97.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.69% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.46% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.11% | 90.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.09% | 80.78% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.43% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 162818483 |
| LOTUS | LTS0074521 |
| wikiData | Q104170916 |