[(3aS,5R,6S,8R,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-4,5,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl] 3-methylbutanoate
Internal ID | b603377d-2adb-4df3-a299-74c152d31cd8 |
Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
IUPAC Name | [(3aS,5R,6S,8R,9aR)-8-hydroxy-5,8-dimethyl-1-methylidene-2-oxo-4,5,6,7,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-6-yl] 3-methylbutanoate |
SMILES (Canonical) | CC1CC2C(CC3=C1C(CC3(C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 |
SMILES (Isomeric) | C[C@@H]1C[C@H]2[C@H](CC3=C1[C@H](C[C@@]3(C)O)OC(=O)CC(C)C)C(=C)C(=O)O2 |
InChI | InChI=1S/C20H28O5/c1-10(2)6-17(21)24-16-9-20(5,23)14-8-13-12(4)19(22)25-15(13)7-11(3)18(14)16/h10-11,13,15-16,23H,4,6-9H2,1-3,5H3/t11-,13-,15+,16+,20-/m1/s1 |
InChI Key | PRPJSCANQAOHJD-ZOTFGOMESA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H28O5 |
Molecular Weight | 348.40 g/mol |
Exact Mass | 348.19367399 g/mol |
Topological Polar Surface Area (TPSA) | 72.80 Ų |
XlogP | 2.00 |
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 | 98.16% | 97.25% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.02% | 85.14% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.91% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.01% | 94.45% |
CHEMBL299 | P17252 | Protein kinase C alpha | 94.30% | 98.03% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.98% | 96.09% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 90.59% | 97.79% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.52% | 97.09% |
CHEMBL2581 | P07339 | Cathepsin D | 87.27% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.09% | 86.33% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.00% | 96.47% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.68% | 95.56% |
CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.50% | 95.71% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.96% | 91.07% |
CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 82.27% | 88.42% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.03% | 97.14% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.76% | 99.23% |
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.
Loxothysanus sinuatus |
PubChem | 162924692 |
LOTUS | LTS0055385 |
wikiData | Q105213857 |