(8,9-diacetyloxy-4-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) 2-methylbutanoate
Internal ID | 124a9868-1190-4730-a774-5510d27f0c8e |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones |
IUPAC Name | (8,9-diacetyloxy-4-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) 2-methylbutanoate |
SMILES (Canonical) | CCC(C)C(=O)OC1CC(C2(C1C(C(C3C(C2OC(=O)C)C(=C)C(=O)O3)O)C)C)OC(=O)C |
SMILES (Isomeric) | CCC(C)C(=O)OC1CC(C2(C1C(C(C3C(C2OC(=O)C)C(=C)C(=O)O3)O)C)C)OC(=O)C |
InChI | InChI=1S/C24H34O9/c1-8-10(2)22(28)32-15-9-16(30-13(5)25)24(7)18(15)12(4)19(27)20-17(11(3)23(29)33-20)21(24)31-14(6)26/h10,12,15-21,27H,3,8-9H2,1-2,4-7H3 |
InChI Key | XDFDCJAYELYDTM-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H34O9 |
Molecular Weight | 466.50 g/mol |
Exact Mass | 466.22028266 g/mol |
Topological Polar Surface Area (TPSA) | 125.00 Ų |
XlogP | 2.90 |
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 |
---|---|---|---|---|
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.34% | 97.25% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 96.99% | 97.79% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.72% | 96.09% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.48% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.18% | 94.45% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.84% | 90.17% |
CHEMBL2581 | P07339 | Cathepsin D | 92.01% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.68% | 85.14% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 88.72% | 96.47% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.20% | 86.33% |
CHEMBL299 | P17252 | Protein kinase C alpha | 86.53% | 98.03% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.18% | 89.50% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.46% | 97.09% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.04% | 95.50% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.26% | 99.23% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.81% | 96.77% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.18% | 89.00% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.18% | 98.75% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.13% | 95.56% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.68% | 91.07% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.01% | 97.14% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.88% | 91.19% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.43% | 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.
Gaillardia pulchella |
PubChem | 162894967 |
LOTUS | LTS0203904 |
wikiData | Q105325678 |