[(1R,2R,5R,6R)-2,5,6-trihydroxy-5-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methylcyclohexyl] acetate
| Internal ID | 59b8bae6-d5a6-41b1-8196-814aaa17593b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1R,2R,5R,6R)-2,5,6-trihydroxy-5-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methylcyclohexyl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H30O6/c1-11(2)7-6-8-16(5,21)17(22)10-9-15(4,20)14(13(17)19)23-12(3)18/h7,13-14,19-22H,6,8-10H2,1-5H3/t13-,14-,15-,16-,17-/m1/s1 |
| InChI Key | HUHFSXQUPUXLLB-WRQOLXDDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H30O6 |
| Molecular Weight | 330.40 g/mol |
| Exact Mass | 330.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,5R,6R)-2,5,6-trihydroxy-5-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methylcyclohexyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/df2a7cf0-8623-11ee-bfe0-73ed6c4d1c0e.jpg "2D Structure of [(1R,2R,5R,6R)-2,5,6-trihydroxy-5-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methylcyclohexyl] acetate")
| 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 | 97.62% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.88% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.47% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.13% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.24% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.72% | 86.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.90% | 91.24% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 85.89% | 97.79% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.40% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.71% | 89.34% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.61% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.36% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.98% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.14% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.83% | 95.89% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.57% | 96.90% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.37% | 91.19% |
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.
| Matricaria aurea |
| PubChem | 15477699 |
| LOTUS | LTS0096369 |
| wikiData | Q105033774 |