(1S)-1-[5-hydroxy-5-[4-(2-hydroxy-2,6,6-trimethylcyclohexyl)but-1-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol
| Internal ID | c54c024c-62cf-4a6d-aa3c-480f6e4c3cc3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (1S)-1-[5-hydroxy-5-[4-(2-hydroxy-2,6,6-trimethylcyclohexyl)but-1-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H36O5/c1-14(20(24)12-11-19(5,25-20)16(22)13-21)7-8-15-17(2,3)9-6-10-18(15,4)23/h15-16,21-24H,1,6-13H2,2-5H3/t15?,16-,18?,19?,20?/m0/s1 |
| InChI Key | RIFYQCYKHQDXDN-OHJGJUJKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H36O5 |
| Molecular Weight | 356.50 g/mol |
| Exact Mass | 356.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (1S)-1-[5-hydroxy-5-[4-(2-hydroxy-2,6,6-trimethylcyclohexyl)but-1-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/ee81dd90-8750-11ee-a07c-b35ea038fae0.jpg "2D Structure of (1S)-1-[5-hydroxy-5-[4-(2-hydroxy-2,6,6-trimethylcyclohexyl)but-1-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 98.66% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.47% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.23% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.71% | 96.09% |
| CHEMBL233 | P35372 | Mu opioid receptor | 91.36% | 97.93% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 90.81% | 92.98% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.63% | 97.09% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 88.87% | 91.23% |
| CHEMBL4482 | O96013 | Serine/threonine-protein kinase PAK 4 | 87.29% | 95.42% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.93% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.31% | 98.95% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.23% | 97.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.91% | 82.69% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.74% | 100.00% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 82.86% | 89.05% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.61% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.19% | 95.89% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.14% | 96.61% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.95% | 95.50% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.86% | 93.03% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.78% | 92.62% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 81.36% | 97.56% |
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.
| Madia gracilis |
| PubChem | 162816892 |
| LOTUS | LTS0075377 |
| wikiData | Q105236825 |