(6S)-9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,6-dimethylnon-2-en-5-one
Internal ID | b3ad94a1-93f7-4471-a56b-f4ff4c6b9331 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Monocyclic monoterpenoids |
IUPAC Name | (6S)-9-[(2S,3R,6E)-3-hydroxy-6-(2-hydroxyethylidene)-2-methyloxepan-2-yl]-2,6-dimethylnon-2-en-5-one |
SMILES (Canonical) | CC(CCCC1(C(CCC(=CCO)CO1)O)C)C(=O)CC=C(C)C |
SMILES (Isomeric) | C[C@@H](CCC[C@]1([C@@H](CC/C(=C\CO)/CO1)O)C)C(=O)CC=C(C)C |
InChI | InChI=1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16-,19+,20-/m0/s1 |
InChI Key | XRDHAXIOHKTIGF-JKYRMGHSSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H34O4 |
Molecular Weight | 338.50 g/mol |
Exact Mass | 338.24570956 g/mol |
Topological Polar Surface Area (TPSA) | 66.80 Ų |
XlogP | 2.30 |
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 | 97.31% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.52% | 94.45% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.77% | 96.09% |
CHEMBL2581 | P07339 | Cathepsin D | 91.12% | 98.95% |
CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.79% | 91.24% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.08% | 93.56% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.46% | 95.89% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.18% | 100.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.60% | 99.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.37% | 97.09% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.33% | 91.19% |
CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.34% | 96.47% |
CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.10% | 100.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.70% | 95.56% |
CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 82.65% | 94.66% |
CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 82.51% | 97.50% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.21% | 89.00% |
CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.38% | 92.88% |
CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.71% | 89.05% |
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.
Montanoa tomentosa |
PubChem | 162856477 |
LOTUS | LTS0215491 |
wikiData | Q105340395 |