[(3aS,6E,10Z,11aR)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
Internal ID | 5b1e8fe7-003a-48d2-9f9f-10191e10251c |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
IUPAC Name | [(3aS,6E,10Z,11aR)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate |
SMILES (Canonical) | CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)COC(=O)C |
SMILES (Isomeric) | C/C/1=C\CC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/COC(=O)C |
InChI | InChI=1S/C17H22O4/c1-11-5-4-6-14(10-20-13(3)18)9-16-15(8-7-11)12(2)17(19)21-16/h5,9,15-16H,2,4,6-8,10H2,1,3H3/b11-5+,14-9-/t15-,16+/m0/s1 |
InChI Key | FLQRNFRKTCFXQT-ZZCLTNFFSA-N |
Popularity | 0 references in papers |
Molecular Formula | C17H22O4 |
Molecular Weight | 290.40 g/mol |
Exact Mass | 290.15180918 g/mol |
Topological Polar Surface Area (TPSA) | 52.60 Ų |
XlogP | 1.40 |
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 | 96.09% | 97.25% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.93% | 91.11% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.69% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.20% | 95.56% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.95% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 87.67% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.72% | 94.45% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.65% | 89.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.01% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.93% | 99.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.66% | 86.33% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.71% | 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.
Dicoma capensis |
Magnolia sieboldii |
PubChem | 14466099 |
LOTUS | LTS0144390 |
wikiData | Q104997364 |