(6,8-dihydroxy-5-methyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-8a-yl)methyl 3-methylbutanoate
| Internal ID | eab2e77f-d212-44f9-a56e-c9eaebcb11ce |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Ambrosanolides and secoambrosanolides |
| IUPAC Name | (6,8-dihydroxy-5-methyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-8a-yl)methyl 3-methylbutanoate |
| SMILES (Canonical) | CC1CC2C(CC3(C1C(CC3O)O)COC(=O)CC(C)C)C(=C)C(=O)O2 |
| SMILES (Isomeric) | CC1CC2C(CC3(C1C(CC3O)O)COC(=O)CC(C)C)C(=C)C(=O)O2 |
| InChI | InChI=1S/C20H30O6/c1-10(2)5-17(23)25-9-20-8-13-12(4)19(24)26-15(13)6-11(3)18(20)14(21)7-16(20)22/h10-11,13-16,18,21-22H,4-9H2,1-3H3 |
| InChI Key | LWWMKUMNVVIUJC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O6 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (6,8-dihydroxy-5-methyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-8a-yl)methyl 3-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/0be56a50-874d-11ee-8751-c5f319e0e7d8.jpg "2D Structure of (6,8-dihydroxy-5-methyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-8a-yl)methyl 3-methylbutanoate")
| 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 | 97.03% | 85.14% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 96.29% | 98.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.25% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.26% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.65% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.69% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.28% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.24% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.84% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.96% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.68% | 95.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.04% | 96.47% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.02% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.94% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.54% | 97.21% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.42% | 82.69% |
| CHEMBL5028 | O14672 | ADAM10 | 80.74% | 97.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.26% | 91.07% |
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.
| Gaillardia powellii |
| PubChem | 162976439 |
| LOTUS | LTS0168442 |
| wikiData | Q105158619 |