[(3aR,4R,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S,3S)-2,3-dihydroxy-2-methylbutanoate
| Internal ID | 5c335246-15a5-45da-b150-25d822059956 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | [(3aR,4R,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S,3S)-2,3-dihydroxy-2-methylbutanoate |
| SMILES (Canonical) | CC1=CC2C(C(CC(=CCC1)C)OC(=O)C(C)(C(C)O)O)C(=C)C(=O)O2 |
| SMILES (Isomeric) | CC1=C[C@H]2[C@@H]([C@@H](CC(=CCC1)C)OC(=O)[C@](C)([C@H](C)O)O)C(=C)C(=O)O2 |
| InChI | InChI=1S/C20H28O6/c1-11-7-6-8-12(2)10-16(26-19(23)20(5,24)14(4)21)17-13(3)18(22)25-15(17)9-11/h8-9,14-17,21,24H,3,6-7,10H2,1-2,4-5H3/t14-,15-,16+,17-,20-/m0/s1 |
| InChI Key | KVJTZBSGBYRUOR-GHHWKCCRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O6 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of [(3aR,4R,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S,3S)-2,3-dihydroxy-2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/a5e4a690-859a-11ee-82ef-df1b8c09e86a.jpg "2D Structure of [(3aR,4R,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2S,3S)-2,3-dihydroxy-2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.85% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.64% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.39% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.07% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.98% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.40% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.31% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.97% | 94.73% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.65% | 97.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.21% | 99.23% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.19% | 96.47% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.99% | 90.93% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.87% | 97.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.14% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.68% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.19% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 82.04% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.31% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.31% | 83.82% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 80.27% | 94.97% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.12% | 95.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.09% | 94.08% |
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.
| Ursinia anthemoides |
| Ursinia cakilefolia |
| PubChem | 162978479 |
| LOTUS | LTS0161653 |
| wikiData | Q105146561 |