16-Methoxy-6,8-dioxa-1-azapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-2,4,9,11,13,15,18-heptaen-17-one
| Internal ID | 722f81c1-5ab1-419d-93b6-56186eea1127 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinolones and derivatives |
| IUPAC Name | 16-methoxy-6,8-dioxa-1-azapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-2,4,9,11,13,15,18-heptaen-17-one |
| SMILES (Canonical) | COC1=CC2=C3C=C4C=C5C(=CC4=CN3CCC2=CC1=O)OCO5 |
| SMILES (Isomeric) | COC1=CC2=C3C=C4C=C5C(=CC4=CN3CCC2=CC1=O)OCO5 |
| InChI | InChI=1S/C19H15NO4/c1-22-17-8-14-11(5-16(17)21)2-3-20-9-13-7-19-18(23-10-24-19)6-12(13)4-15(14)20/h4-9H,2-3,10H2,1H3 |
| InChI Key | NAZZLWVJASSOOC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H15NO4 |
| Molecular Weight | 321.30 g/mol |
| Exact Mass | 321.10010796 g/mol |
| Topological Polar Surface Area (TPSA) | 48.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of 16-Methoxy-6,8-dioxa-1-azapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-2,4,9,11,13,15,18-heptaen-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/f5ecb0e0-864e-11ee-96cf-59ded291ec7f.jpg "2D Structure of 16-Methoxy-6,8-dioxa-1-azapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-2,4,9,11,13,15,18-heptaen-17-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.41% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.49% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.53% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.71% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.19% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.99% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.36% | 85.14% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.93% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.58% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.90% | 90.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.31% | 85.30% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.17% | 82.67% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.96% | 90.24% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 82.77% | 80.96% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.18% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.76% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.60% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.58% | 95.89% |
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.
| Coptis quinquefolia |
| Thalictrum urbaini |
| PubChem | 25050405 |
| LOTUS | LTS0193580 |
| wikiData | Q105176673 |