(4,10-Dihydroxy-6,10-dimethyl-3-methylidene-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-11-yl) 2-methylbut-2-enoate
| Internal ID | 189954f1-2ee9-4b3d-9da6-113e39c7119b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | (4,10-dihydroxy-6,10-dimethyl-3-methylidene-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-11-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1C2C(C(C(=O)C(CCCC1(C)O)C)O)C(=C)C(=O)O2 |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1C2C(C(C(=O)C(CCCC1(C)O)C)O)C(=C)C(=O)O2 |
| InChI | InChI=1S/C20H28O7/c1-6-10(2)18(23)27-17-16-13(12(4)19(24)26-16)15(22)14(21)11(3)8-7-9-20(17,5)25/h6,11,13,15-17,22,25H,4,7-9H2,1-3,5H3 |
| InChI Key | ZQYPWEPKAPYCJH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O7 |
| Molecular Weight | 380.40 g/mol |
| Exact Mass | 380.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (4,10-Dihydroxy-6,10-dimethyl-3-methylidene-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-11-yl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/be2ae1a0-8710-11ee-b22c-d9078eddb2f5.jpg "2D Structure of (4,10-Dihydroxy-6,10-dimethyl-3-methylidene-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-11-yl) 2-methylbut-2-enoate")
| 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 | 98.35% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.60% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.76% | 90.17% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.37% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.16% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.97% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.40% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.18% | 95.56% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.85% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.74% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.97% | 91.19% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.36% | 93.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.95% | 93.04% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.87% | 93.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.80% | 91.24% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.49% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.27% | 97.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.18% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.03% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.58% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.05% | 96.09% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.70% | 83.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.12% | 82.69% |
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.
| Dittrichia viscosa |
| PubChem | 163032125 |
| LOTUS | LTS0267230 |
| wikiData | Q105381824 |