19-Methoxy-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 | 1b82ab7a-4c2d-49bc-bb23-52d2c98a7347 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 19-methoxy-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) | COC1=CC=CC2=C1N=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4 |
| SMILES (Isomeric) | COC1=CC=CC2=C1N=C3C4=C(CCN3C2=O)C5=CC=CC=C5N4 |
| InChI | InChI=1S/C19H15N3O2/c1-24-15-8-4-6-13-16(15)21-18-17-12(9-10-22(18)19(13)23)11-5-2-3-7-14(11)20-17/h2-8,20H,9-10H2,1H3 |
| InChI Key | HUQHSJJIKVPMHA-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H15N3O2 |
| Molecular Weight | 317.30 g/mol |
| Exact Mass | 317.116426730 g/mol |
| Topological Polar Surface Area (TPSA) | 57.70 Ų |
| XlogP | 3.00 |
| BDBM50131050 |
| 1-Methoxy-8,13-dihydro-7H-indolo[2'',3'':3,4]pyrido[2,1-b]quinazolin-5-one |
![2D Structure of 19-Methoxy-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/2023/11/7a33a030-8372-11ee-9ed7-4faa336aac5c.jpg "2D Structure of 19-Methoxy-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 | 98.42% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 97.23% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.72% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.02% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.01% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.00% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.04% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.82% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.53% | 86.33% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.26% | 94.75% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 87.13% | 92.98% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 86.95% | 96.39% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.84% | 96.67% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 85.74% | 88.56% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.98% | 96.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.00% | 93.65% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 82.84% | 85.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 82.50% | 85.49% |
| CHEMBL2094121 | P14867 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 82.26% | 95.50% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.41% | 90.08% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 80.31% | 95.56% |
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.
| Zanthoxylum integrifoliolum |
| PubChem | 5319487 |
| LOTUS | LTS0226530 |
| wikiData | Q105033973 |