[(1S,2S,6R,7S,9R,10R,11S,12R,14S)-7,11-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-10-yl] 3-methylbut-2-enoate
| Internal ID | f59ee789-0e31-435c-8c2d-2e5b2d346215 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | [(1S,2S,6R,7S,9R,10R,11S,12R,14S)-7,11-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-10-yl] 3-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H26O7/c1-8(2)6-11(22)25-16-13(23)17-20(5,27-17)15-14-12(9(3)18(24)26-14)10(21)7-19(15,16)4/h6,10,12-17,21,23H,3,7H2,1-2,4-5H3/t10-,12+,13-,14-,15+,16-,17+,19+,20-/m0/s1 |
| InChI Key | BXMWOHOZNDHXQQ-PNUSMTBYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H26O7 |
| Molecular Weight | 378.40 g/mol |
| Exact Mass | 378.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,6R,7S,9R,10R,11S,12R,14S)-7,11-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-10-yl] 3-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/4f032900-8642-11ee-bca9-f3fe833ee168.jpg "2D Structure of [(1S,2S,6R,7S,9R,10R,11S,12R,14S)-7,11-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[7.5.0.02,6.012,14]tetradecan-10-yl] 3-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 | 98.34% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.19% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.37% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.25% | 97.25% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 90.71% | 91.07% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.45% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.12% | 95.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.45% | 96.61% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.45% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.44% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.83% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.76% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.92% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.90% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.14% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.19% | 92.94% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 81.12% | 97.78% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.99% | 89.34% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.21% | 100.00% |
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.
| Dimerostemma vestitum |
| PubChem | 11760625 |
| LOTUS | LTS0135770 |
| wikiData | Q104948069 |