6a-hydroperoxy-4-hydroxy-6,9-dimethyl-3-methylidene-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one
| Internal ID | 01158176-a9d1-4e70-b540-8137c133eca1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
| IUPAC Name | 6a-hydroperoxy-4-hydroxy-6,9-dimethyl-3-methylidene-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one |
| SMILES (Canonical) | CC1=CCC2(C1C3C(C(C=C2C)O)C(=C)C(=O)O3)OO |
| SMILES (Isomeric) | CC1=CCC2(C1C3C(C(C=C2C)O)C(=C)C(=O)O3)OO |
| InChI | InChI=1S/C15H18O5/c1-7-4-5-15(20-18)8(2)6-10(16)11-9(3)14(17)19-13(11)12(7)15/h4,6,10-13,16,18H,3,5H2,1-2H3 |
| InChI Key | FYRYMWMYRKGLMQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H18O5 |
| Molecular Weight | 278.30 g/mol |
| Exact Mass | 278.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of 6a-hydroperoxy-4-hydroxy-6,9-dimethyl-3-methylidene-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5e781300-80b2-11ee-bdd3-eb9fa26e3d04.jpg "2D Structure of 6a-hydroperoxy-4-hydroxy-6,9-dimethyl-3-methylidene-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.13% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.82% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.99% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.86% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.47% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.14% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.29% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.24% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.83% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.95% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.79% | 95.89% |
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.
| Achillea clypeolata |
| Artemisia ludoviciana |
| Bishopanthus soliceps |
| PubChem | 14829049 |
| LOTUS | LTS0196792 |
| wikiData | Q105004677 |