[(3aR,4S,6Z,10Z,11aR)-6-formyl-4-hydroxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
Internal ID | a6a162ff-c4f2-4b79-81e1-0148376f27e7 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
IUPAC Name | [(3aR,4S,6Z,10Z,11aR)-6-formyl-4-hydroxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate |
SMILES (Canonical) | CC(=O)OCC1=CC2C(C(CC(=CCC1)C=O)O)C(=C)C(=O)O2 |
SMILES (Isomeric) | CC(=O)OC/C/1=C\[C@@H]2[C@@H]([C@H](C/C(=C/CC1)/C=O)O)C(=C)C(=O)O2 |
InChI | InChI=1S/C17H20O6/c1-10-16-14(20)6-12(8-18)4-3-5-13(9-22-11(2)19)7-15(16)23-17(10)21/h4,7-8,14-16,20H,1,3,5-6,9H2,2H3/b12-4-,13-7-/t14-,15+,16+/m0/s1 |
InChI Key | JUPBOGOLFJPVQW-RGCSGKGMSA-N |
Popularity | 0 references in papers |
Molecular Formula | C17H20O6 |
Molecular Weight | 320.30 g/mol |
Exact Mass | 320.12598835 g/mol |
Topological Polar Surface Area (TPSA) | 89.90 Ų |
XlogP | 0.50 |
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 | 97.05% | 91.11% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.06% | 83.82% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.05% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.49% | 95.56% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 92.94% | 91.49% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.18% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.71% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.57% | 86.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.34% | 94.73% |
CHEMBL2581 | P07339 | Cathepsin D | 83.58% | 98.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.94% | 85.14% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.80% | 95.50% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.64% | 99.17% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.27% | 100.00% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.18% | 97.25% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.17% | 97.09% |
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.
Anisopappus pinnatifida |
PubChem | 163014073 |
LOTUS | LTS0214944 |
wikiData | Q105135350 |