11-Hydroxy-6-methyl-3-propan-2-yl-2,12-dioxatricyclo[6.3.1.01,6]dodec-9-ene-9-carbaldehyde
| Internal ID | 959ceaf1-d0bd-410c-9fc2-d14a4c8ea931 |
| Taxonomy | Organoheterocyclic compounds > Furopyrans |
| IUPAC Name | 11-hydroxy-6-methyl-3-propan-2-yl-2,12-dioxatricyclo[6.3.1.01,6]dodec-9-ene-9-carbaldehyde |
| SMILES (Canonical) | CC(C)C1CCC2(CC3C(=CC(C2(O1)O3)O)C=O)C |
| SMILES (Isomeric) | CC(C)C1CCC2(CC3C(=CC(C2(O1)O3)O)C=O)C |
| InChI | InChI=1S/C15H22O4/c1-9(2)11-4-5-14(3)7-12-10(8-16)6-13(17)15(14,18-11)19-12/h6,8-9,11-13,17H,4-5,7H2,1-3H3 |
| InChI Key | GPXBOTWDUNQWMM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H22O4 |
| Molecular Weight | 266.33 g/mol |
| Exact Mass | 266.15180918 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 11-Hydroxy-6-methyl-3-propan-2-yl-2,12-dioxatricyclo[6.3.1.01,6]dodec-9-ene-9-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/11-hydroxy-6-methyl-3-propan-2-yl-212-dioxatricyclo631016dodec-9-ene-9-carbaldehyde.jpg "2D Structure of 11-Hydroxy-6-methyl-3-propan-2-yl-2,12-dioxatricyclo[6.3.1.01,6]dodec-9-ene-9-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.68% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.75% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.84% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.24% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.04% | 97.25% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.71% | 92.88% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.51% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.38% | 97.14% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.36% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.30% | 96.77% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.12% | 93.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.94% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.02% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.17% | 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.
| Rosa rugosa |
| PubChem | 163063066 |
| LOTUS | LTS0091623 |
| wikiData | Q105015221 |