6,11-Dihydroxy-16-methyl-14-oxo-12-pentyl-2,13-dioxatricyclo[13.3.1.03,8]nonadeca-1(19),3(8),4,6,9,15,17-heptaene-7-carbaldehyde
| Internal ID | a2b57bf7-5376-4b38-841d-e005583d98a2 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 6,11-dihydroxy-16-methyl-14-oxo-12-pentyl-2,13-dioxatricyclo[13.3.1.03,8]nonadeca-1(19),3(8),4,6,9,15,17-heptaene-7-carbaldehyde |
| SMILES (Canonical) | CCCCCC1C(C=CC2=C(C=CC(=C2C=O)O)OC3=CC(=C(C=C3)C)C(=O)O1)O |
| SMILES (Isomeric) | CCCCCC1C(C=CC2=C(C=CC(=C2C=O)O)OC3=CC(=C(C=C3)C)C(=O)O1)O |
| InChI | InChI=1S/C24H26O6/c1-3-4-5-6-23-21(27)10-9-17-19(14-25)20(26)11-12-22(17)29-16-8-7-15(2)18(13-16)24(28)30-23/h7-14,21,23,26-27H,3-6H2,1-2H3 |
| InChI Key | WLRAIWMXLNQMDK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26O6 |
| Molecular Weight | 410.50 g/mol |
| Exact Mass | 410.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 6,11-Dihydroxy-16-methyl-14-oxo-12-pentyl-2,13-dioxatricyclo[13.3.1.03,8]nonadeca-1(19),3(8),4,6,9,15,17-heptaene-7-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/ec82e780-8672-11ee-a290-6f6bdef9dd5e.jpg "2D Structure of 6,11-Dihydroxy-16-methyl-14-oxo-12-pentyl-2,13-dioxatricyclo[13.3.1.03,8]nonadeca-1(19),3(8),4,6,9,15,17-heptaene-7-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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.59% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.46% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.49% | 94.73% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 93.66% | 98.11% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.95% | 91.11% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.28% | 82.38% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.63% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.26% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.20% | 99.17% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 88.03% | 96.37% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.77% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.68% | 99.23% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.14% | 92.08% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.81% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.83% | 96.00% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.16% | 91.38% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.06% | 89.63% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.61% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.56% | 94.80% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.16% | 96.90% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.00% | 93.56% |
| CHEMBL5145 | P15056 | Serine/threonine-protein kinase B-raf | 80.54% | 97.90% |
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.
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| There are no matching plants. |
| PubChem | 162967462 |
| LOTUS | LTS0081179 |
| wikiData | Q104200358 |