Subcordatolide E
| Internal ID | 4fe2fbd9-c6eb-4882-b212-2611ccefa9e0 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | [(3aR,4aS,8R,8aR,9aS)-5,8a-dimethyl-3-methylidene-2-oxo-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-8-yl] 2-methylpropanoate |
| SMILES (Canonical) | CC1=CCC(C2(C1CC3C(C2)OC(=O)C3=C)C)OC(=O)C(C)C |
| SMILES (Isomeric) | CC1=CC[C@H]([C@]2([C@H]1C[C@H]3[C@H](C2)OC(=O)C3=C)C)OC(=O)C(C)C |
| InChI | InChI=1S/C19H26O4/c1-10(2)17(20)23-16-7-6-11(3)14-8-13-12(4)18(21)22-15(13)9-19(14,16)5/h6,10,13-16H,4,7-9H2,1-3,5H3/t13-,14+,15+,16-,19-/m1/s1 |
| InChI Key | RPBYSCRNRSFQDZ-LAIHZFQQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O4 |
| Molecular Weight | 318.40 g/mol |
| Exact Mass | 318.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 3.60 |
| 111625-65-1 |
| DTXSID30149698 |
| [(3aR,4aS,8R,8aR,9aS)-5,8a-dimethyl-3-methylidene-2-oxo-4,4a,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-8-yl] 2-methylpropanoate |
| ((3aR,4aS,8R,8aR,9aS)-5,8a-dimethyl-3-methylidene-2-oxo-4,4a,7,8,9,9a-hexahydro-3aH-benzo(f)(1)benzofuran-8-yl) 2-methylpropanoate |
| RefChem:186210 |
| DTXCID1072189 |
| (3aR,4aS,8R,8aR,9aS)-5,8a-Dimethyl-3-methylidene-2-oxo-2,3,3a,4,4a,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-8-yl 2-methylpropanoate |
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.96% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.96% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.37% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.16% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.86% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.47% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.84% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.50% | 95.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.51% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.54% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.12% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.40% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.28% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.88% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.41% | 94.00% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.06% | 97.36% |
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.
| Calea subcordata |
| PubChem | 183340 |
| LOTUS | LTS0209444 |
| wikiData | Q83015558 |