5-(2,5-Dihydroxy-6-methylhept-6-en-2-yl)-4-hydroxy-2-methylcyclohex-2-en-1-one
| Internal ID | 08b0e3ed-265d-405c-873a-70ca8236e857 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 5-(2,5-dihydroxy-6-methylhept-6-en-2-yl)-4-hydroxy-2-methylcyclohex-2-en-1-one |
| SMILES (Canonical) | CC1=CC(C(CC1=O)C(C)(CCC(C(=C)C)O)O)O |
| SMILES (Isomeric) | CC1=CC(C(CC1=O)C(C)(CCC(C(=C)C)O)O)O |
| InChI | InChI=1S/C15H24O4/c1-9(2)12(16)5-6-15(4,19)11-8-13(17)10(3)7-14(11)18/h7,11-12,14,16,18-19H,1,5-6,8H2,2-4H3 |
| InChI Key | LGNDBWRBYUAIMG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O4 |
| Molecular Weight | 268.35 g/mol |
| Exact Mass | 268.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 77.80 Ų |
| XlogP | 1.50 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.34% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.64% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.29% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.44% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.09% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.83% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.92% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.06% | 94.73% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.74% | 96.61% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.09% | 90.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.53% | 90.08% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.16% | 96.47% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.13% | 92.68% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.00% | 100.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.94% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.04% | 95.89% |
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.
| Achillea cretica |
| PubChem | 162908303 |
| LOTUS | LTS0162481 |
| wikiData | Q105151470 |