(6-Hydroxy-7,11-dimethyl-2-methylidene-3-oxo-4,14-dioxatetracyclo[9.2.1.01,5.07,10]tetradecan-13-yl) 2-methylpropanoate
| Internal ID | c0479197-685f-4d7b-9599-51d375c05c43 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (6-hydroxy-7,11-dimethyl-2-methylidene-3-oxo-4,14-dioxatetracyclo[9.2.1.01,5.07,10]tetradecan-13-yl) 2-methylpropanoate |
| SMILES (Canonical) | CC(C)C(=O)OC1CC2(C3CCC3(C(C4C1(O2)C(=C)C(=O)O4)O)C)C |
| SMILES (Isomeric) | CC(C)C(=O)OC1CC2(C3CCC3(C(C4C1(O2)C(=C)C(=O)O4)O)C)C |
| InChI | InChI=1S/C19H26O6/c1-9(2)15(21)23-12-8-18(5)11-6-7-17(11,4)13(20)14-19(12,25-18)10(3)16(22)24-14/h9,11-14,20H,3,6-8H2,1-2,4-5H3 |
| InChI Key | HIEPETJYIOQOEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O6 |
| Molecular Weight | 350.40 g/mol |
| Exact Mass | 350.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (6-Hydroxy-7,11-dimethyl-2-methylidene-3-oxo-4,14-dioxatetracyclo[9.2.1.01,5.07,10]tetradecan-13-yl) 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/a796a7b0-8376-11ee-befd-3b81b22a40fb.jpg "2D Structure of (6-Hydroxy-7,11-dimethyl-2-methylidene-3-oxo-4,14-dioxatetracyclo[9.2.1.01,5.07,10]tetradecan-13-yl) 2-methylpropanoate")
| 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 | 96.00% | 91.11% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 95.13% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.52% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.32% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.26% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.48% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.23% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.08% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.61% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.28% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.18% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.80% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.78% | 91.19% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.24% | 96.77% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.22% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.18% | 95.89% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.01% | 90.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.97% | 95.89% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.31% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.68% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.23% | 98.95% |
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.
| Montanoa tomentosa |
| PubChem | 162888315 |
| LOTUS | LTS0077545 |
| wikiData | Q105028805 |