1,10-Epoxyparthenolide
| Internal ID | a6cf707e-0c1c-4408-aeb1-80d030f1b2c6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1S,2S,4S,7R,9R,12S)-4,9-dimethyl-13-methylidene-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadecan-14-one |
| SMILES (Canonical) | CC12CCC3C(C4C(O4)(CCC1O2)C)OC(=O)C3=C |
| SMILES (Isomeric) | C[C@@]12CC[C@@H]3[C@@H]([C@H]4[C@@](O4)(CC[C@H]1O2)C)OC(=O)C3=C |
| InChI | InChI=1S/C15H20O4/c1-8-9-4-6-14(2)10(18-14)5-7-15(3)12(19-15)11(9)17-13(8)16/h9-12H,1,4-7H2,2-3H3/t9-,10+,11-,12-,14+,15-/m0/s1 |
| InChI Key | ZNURDDCKOFUOKI-XUGXRQAHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.32 g/mol |
| Exact Mass | 264.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 51.40 Ų |
| XlogP | 1.70 |
| NIOSH/LY4320000 |
| LY43200000 |
| 1,10:4,5-alpha-Diepoxy-6-beta-hydroxygermacr-11(13)-en-12-oic acid gamma-lactone |
| Germacr-11(13)-en-12-oic acid, 1,10:4,5-alpha-diepoxy-6-beta-hydroxy-, gamma-lactone |
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.99% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.54% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.35% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.08% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.03% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.45% | 91.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.39% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.97% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.16% | 90.17% |
| CHEMBL5600 | P27448 | Serine/threonine-protein kinase c-TAK1 | 82.47% | 88.81% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.50% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.80% | 95.89% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.45% | 95.38% |
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.
| Anthemis macedonica |
| PubChem | 145707084 |
| LOTUS | LTS0241092 |
| wikiData | Q105380237 |