(6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylbut-2-enoate
Internal ID | da5c58ee-9649-4329-9654-ae0f057b8c4b |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones |
IUPAC Name | (6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylbut-2-enoate |
SMILES (Canonical) | CC=C(C)C(=O)OC1C2C(C(=O)OC2CC(C3C1(C(=O)CC3O)C)C)C |
SMILES (Isomeric) | CC=C(C)C(=O)OC1C2C(C(=O)OC2CC(C3C1(C(=O)CC3O)C)C)C |
InChI | InChI=1S/C20H28O6/c1-6-9(2)18(23)26-17-15-11(4)19(24)25-13(15)7-10(3)16-12(21)8-14(22)20(16,17)5/h6,10-13,15-17,21H,7-8H2,1-5H3 |
InChI Key | GLHMGBSDKSSHQL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H28O6 |
Molecular Weight | 364.40 g/mol |
Exact Mass | 364.18858861 g/mol |
Topological Polar Surface Area (TPSA) | 89.90 Ų |
XlogP | 2.30 |
There are no found synonyms. |
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 | 97.73% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.47% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.68% | 86.33% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.72% | 92.94% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.81% | 94.45% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.92% | 91.19% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.87% | 99.23% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.96% | 85.14% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.78% | 94.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.74% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.97% | 97.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.56% | 89.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.28% | 97.25% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.92% | 91.24% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.91% | 97.21% |
CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.17% | 82.69% |
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.
Arnica angustifolia |
PubChem | 75069424 |
LOTUS | LTS0258833 |
wikiData | Q105010935 |