15-Methoxy-20-methyl-20-oxido-5,7-dioxa-20-azoniapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-16-ol
| Internal ID | 4b57a55f-7bd5-417c-8cd4-1a5ee48cff76 |
| Taxonomy | Alkaloids and derivatives > Pavine alkaloids |
| IUPAC Name | 15-methoxy-20-methyl-20-oxido-5,7-dioxa-20-azoniapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-16-ol |
| SMILES (Canonical) | C[N+]1(C2CC3=CC(=C(C=C3C1CC4=CC5=C(C=C24)OCO5)OC)O)[O-] |
| SMILES (Isomeric) | C[N+]1(C2CC3=CC(=C(C=C3C1CC4=CC5=C(C=C24)OCO5)OC)O)[O-] |
| InChI | InChI=1S/C19H19NO5/c1-20(22)14-3-10-5-16(21)17(23-2)7-12(10)15(20)4-11-6-18-19(8-13(11)14)25-9-24-18/h5-8,14-15,21H,3-4,9H2,1-2H3 |
| InChI Key | WKFUCDKSFITCAL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H19NO5 |
| Molecular Weight | 341.40 g/mol |
| Exact Mass | 341.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 66.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 15-Methoxy-20-methyl-20-oxido-5,7-dioxa-20-azoniapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/9540d4a0-861c-11ee-b272-419b0748ad87.jpg "2D Structure of 15-Methoxy-20-methyl-20-oxido-5,7-dioxa-20-azoniapentacyclo[10.7.1.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-16-ol")
| 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 | 98.01% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.34% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.01% | 94.45% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 91.70% | 82.67% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 91.46% | 96.76% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.80% | 92.94% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.76% | 80.96% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.39% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.94% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.98% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.75% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.74% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 87.36% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.31% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.87% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.60% | 89.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.00% | 93.99% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 84.08% | 96.86% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.75% | 91.79% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.65% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.75% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.04% | 94.80% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.01% | 94.00% |
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.
| Cryptocarya chinensis |
| PubChem | 85318036 |
| LOTUS | LTS0084587 |
| wikiData | Q105307304 |