(8a-hydroxy-1,8-dimethylidene-2-oxospiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-5,2'-oxirane]-7-yl) propanoate
| Internal ID | 8371f666-3c96-45dd-a5b8-61948c0a9b1a |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
| IUPAC Name | (8a-hydroxy-1,8-dimethylidene-2-oxospiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-5,2'-oxirane]-7-yl) propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H22O6/c1-4-15(19)23-12-5-14-17(8-22-17)7-13-11(9(2)16(20)24-13)6-18(14,21)10(12)3/h11-14,21H,2-8H2,1H3 |
| InChI Key | YQKMSHPWAFJUCP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H22O6 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 0.60 |
| There are no found synonyms. |
![2D Structure of (8a-hydroxy-1,8-dimethylidene-2-oxospiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-5,2'-oxirane]-7-yl) propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8914f2f0-843e-11ee-aaaf-f171454d8b1a.jpg "2D Structure of (8a-hydroxy-1,8-dimethylidene-2-oxospiro[4,5a,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-5,2'-oxirane]-7-yl) propanoate")
| 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 | 96.15% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.72% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.13% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.57% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.99% | 85.14% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.73% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.40% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.05% | 96.95% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.43% | 91.24% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.42% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.32% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.58% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.86% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.60% | 94.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.13% | 82.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.49% | 97.79% |
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.
| Arctotis hirsuta |
| Arctotis stoechadifolia |
| PubChem | 14285657 |
| LOTUS | LTS0138117 |
| wikiData | Q105352252 |