16-Methoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-2,4(8),9,11,13,15,18-heptaen-17-one
| Internal ID | b572f456-ebe3-4bef-8c36-aa23c32522a0 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinolones and derivatives |
| IUPAC Name | 16-methoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-2,4(8),9,11,13,15,18-heptaen-17-one |
| SMILES (Canonical) | COC1=CC2=C3C=C4C=CC5=C(C4=CN3CCC2=CC1=O)OCO5 |
| SMILES (Isomeric) | COC1=CC2=C3C=C4C=CC5=C(C4=CN3CCC2=CC1=O)OCO5 |
| InChI | InChI=1S/C19H15NO4/c1-22-18-8-13-12(7-16(18)21)4-5-20-9-14-11(6-15(13)20)2-3-17-19(14)24-10-23-17/h2-3,6-9H,4-5,10H2,1H3 |
| InChI Key | PGIOBGCIEGZHJH-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-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-2,4(8),9,11,13,15,18-heptaen-17-one](https://plantaedb.com/storage/docs/compounds/2023/11/1c4c4b60-873c-11ee-ab3b-8be18343c497.jpg "2D Structure of 16-Methoxy-5,7-dioxa-1-azapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-2,4(8),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 | 97.64% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.15% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.73% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.04% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.18% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.40% | 86.33% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 92.31% | 82.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.53% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.56% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.81% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.72% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.56% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.83% | 95.89% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.67% | 85.30% |
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 japonica |
| Coptis trifolia |
| Nandina domestica |
| Thalictrum glandulosissimum |
| PubChem | 11723579 |
| LOTUS | LTS0216516 |
| wikiData | Q104395927 |