(8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl) acetate
Internal ID | 91a74e5e-1bb6-4043-8780-e038aaa7c781 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Ambrosanolides and secoambrosanolides |
IUPAC Name | (8-hydroxy-5,8a-dimethyl-1-methylidene-2-oxo-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-6-yl) acetate |
SMILES (Canonical) | CC1CC2C(CC3(C1C(CC3O)OC(=O)C)C)C(=C)C(=O)O2 |
SMILES (Isomeric) | CC1CC2C(CC3(C1C(CC3O)OC(=O)C)C)C(=C)C(=O)O2 |
InChI | InChI=1S/C17H24O5/c1-8-5-12-11(9(2)16(20)22-12)7-17(4)14(19)6-13(15(8)17)21-10(3)18/h8,11-15,19H,2,5-7H2,1,3-4H3 |
InChI Key | JRTIKBMBXBPGNG-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C17H24O5 |
Molecular Weight | 308.40 g/mol |
Exact Mass | 308.16237386 g/mol |
Topological Polar Surface Area (TPSA) | 72.80 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 |
---|---|---|---|---|
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.04% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.02% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.44% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.67% | 96.09% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.12% | 97.25% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.62% | 86.33% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 87.48% | 97.79% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.15% | 99.23% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.91% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.54% | 95.56% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.47% | 92.94% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.12% | 90.17% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.40% | 91.19% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.10% | 96.77% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.74% | 89.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.61% | 100.00% |
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 |
Arnica chamissonis |
Geigeria burkei |
Inula japonica |
PubChem | 12443010 |
LOTUS | LTS0078503 |
wikiData | Q105134088 |