Macrophyllilactone E
| Internal ID | 9c3cdbd5-fec3-4478-b2ac-1d7fa92d165b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | (5R,8aR,9aS)-3-(hydroxymethyl)-5,8a-dimethyl-5,6,7,8,9,9a-hexahydrobenzo[f][1]benzofuran-2-one |
| SMILES (Canonical) | CC1CCCC2(C1=CC3=C(C(=O)OC3C2)CO)C |
| SMILES (Isomeric) | C[C@@H]1CCC[C@]2(C1=CC3=C(C(=O)O[C@H]3C2)CO)C |
| InChI | InChI=1S/C15H20O3/c1-9-4-3-5-15(2)7-13-10(6-12(9)15)11(8-16)14(17)18-13/h6,9,13,16H,3-5,7-8H2,1-2H3/t9-,13+,15-/m1/s1 |
| InChI Key | QBLRXHAPLQNELR-ZDBHGNHJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 2.50 |
| CHEMBL2332642 |
| 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 | 96.17% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.56% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.51% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.34% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.28% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.40% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.66% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.23% | 82.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.78% | 85.14% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.33% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.47% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.54% | 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.
| Inula helenium |
| Inula racemosa |
| PubChem | 12041559 |
| LOTUS | LTS0188467 |
| wikiData | Q105217907 |