Alantolactone, 4alpha,4Aalpha-epoxy-
| Internal ID | d2c6c21f-fe29-4f89-b793-91b4b671e5bb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Eudesmanolides, secoeudesmanolides, and derivatives |
| IUPAC Name | 10,14-dimethyl-5-methylidene-2,7-dioxatetracyclo[8.4.0.01,3.04,8]tetradecan-6-one |
| SMILES (Canonical) | CC1CCCC2(C13C(O3)C4C(C2)OC(=O)C4=C)C |
| SMILES (Isomeric) | CC1CCCC2(C13C(O3)C4C(C2)OC(=O)C4=C)C |
| InChI | InChI=1S/C15H20O3/c1-8-5-4-6-14(3)7-10-11(9(2)13(16)17-10)12-15(8,14)18-12/h8,10-12H,2,4-7H2,1,3H3 |
| InChI Key | YIQKVCDNUFDAHB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O3 |
| Molecular Weight | 248.32 g/mol |
| Exact Mass | 248.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 38.80 Ų |
| XlogP | 2.80 |
| 65563-75-9 |
| Epoxyalantolactone |
| Alantolactone,4A.alpha.-epoxy- |
| DTXSID70312147 |
| YIQKVCDNUFDAHB-UHFFFAOYSA-N |
| AKOS040740289 |
| NSC-250681 |
| Alantolactone, 4.alpha.,4A.alpha.-epoxy- |
| Naphtho[2,3-b]furan-2-one, perhydro-4,4a-epoxy-3-methylene-5,8a-dimethyl- |
| 2,5a-Dimethyl-9-methyleneoctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9H)-one # |
| 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 | 91.05% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.20% | 97.25% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.10% | 97.05% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.23% | 91.11% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 88.97% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.55% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.01% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.98% | 90.17% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.70% | 93.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.21% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.86% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.61% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.36% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.27% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.05% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.64% | 86.33% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.82% | 95.38% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.29% | 99.29% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.28% | 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 | 317639 |
| LOTUS | LTS0275860 |
| wikiData | Q82062510 |