10-(3-Hydroxy-3-methylbutyl)-8-methoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-16-ol
| Internal ID | 121a6009-375b-4c10-bf0d-75c8ccc72a36 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Furanoquinolines |
| IUPAC Name | 10-(3-hydroxy-3-methylbutyl)-8-methoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-16-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H19NO6/c1-18(2,21)6-4-9-11-12(13(20)16-15(9)24-8-25-16)19-17-10(5-7-23-17)14(11)22-3/h5,7,20-21H,4,6,8H2,1-3H3 |
| InChI Key | DKFLWJLSMCGSNC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H19NO6 |
| Molecular Weight | 345.30 g/mol |
| Exact Mass | 345.12123733 g/mol |
| Topological Polar Surface Area (TPSA) | 94.20 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 10-(3-Hydroxy-3-methylbutyl)-8-methoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/800cf1d0-8569-11ee-88c8-f7dc182bc744.jpg "2D Structure of 10-(3-Hydroxy-3-methylbutyl)-8-methoxy-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-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 | 99.02% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.23% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.34% | 94.45% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.93% | 92.68% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.31% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.80% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.62% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.98% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.95% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.92% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.52% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.13% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.06% | 92.62% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.93% | 95.83% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.71% | 96.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.71% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.32% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.40% | 97.09% |
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.
| Vepris verdoorniana |
| PubChem | 13970976 |
| LOTUS | LTS0077466 |
| wikiData | Q104983180 |