[(1R,2R,4S,6R,9Z,11R)-4-(hydroxymethyl)-9-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate
Internal ID | e3eec194-04d0-4b5d-962e-5e79730f0a76 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
IUPAC Name | [(1R,2R,4S,6R,9Z,11R)-4-(hydroxymethyl)-9-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate |
SMILES (Canonical) | CC=C(C)C(=O)OC1CC2(C(O2)CCC(=CC3C1C(=C)C(=O)O3)C)CO |
SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@@H]1C[C@@]2([C@H](O2)CC/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)CO |
InChI | InChI=1S/C20H26O6/c1-5-12(3)18(22)25-15-9-20(10-21)16(26-20)7-6-11(2)8-14-17(15)13(4)19(23)24-14/h5,8,14-17,21H,4,6-7,9-10H2,1-3H3/b11-8-,12-5-/t14-,15-,16-,17+,20+/m1/s1 |
InChI Key | YUTJTNWTRUUIQT-QPKONBAMSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H26O6 |
Molecular Weight | 362.40 g/mol |
Exact Mass | 362.17293854 g/mol |
Topological Polar Surface Area (TPSA) | 85.40 Ų |
XlogP | 1.90 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.40% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.15% | 95.56% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.48% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.31% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.95% | 89.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.12% | 86.33% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.33% | 99.23% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.15% | 93.03% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.95% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.42% | 95.89% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.08% | 100.00% |
CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.61% | 98.75% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.12% | 91.07% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.90% | 90.17% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.31% | 91.24% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.36% | 97.25% |
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.
Aldama robusta |
PubChem | 162923550 |
LOTUS | LTS0098440 |
wikiData | Q105364954 |