Methyl 5-(2-hydroxy-5,5,8a-trimethyl-1,2,4a,6,7,8-hexahydronaphthalen-1-yl)-3-(hydroxymethyl)pent-2-enoate
| Internal ID | a24a32d2-15d0-4b57-8808-6c527bf2f8b9 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | methyl 5-(2-hydroxy-5,5,8a-trimethyl-1,2,4a,6,7,8-hexahydronaphthalen-1-yl)-3-(hydroxymethyl)pent-2-enoate |
| SMILES (Canonical) | CC1(CCCC2(C1C=CC(C2CCC(=CC(=O)OC)CO)O)C)C |
| SMILES (Isomeric) | CC1(CCCC2(C1C=CC(C2CCC(=CC(=O)OC)CO)O)C)C |
| InChI | InChI=1S/C20H32O4/c1-19(2)10-5-11-20(3)15(16(22)8-9-17(19)20)7-6-14(13-21)12-18(23)24-4/h8-9,12,15-17,21-22H,5-7,10-11,13H2,1-4H3 |
| InChI Key | MYJNEQVNTVOXPK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 3.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.89% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.82% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.61% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.34% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.37% | 97.25% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.80% | 91.07% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.33% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.66% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.25% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.07% | 98.95% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.30% | 94.33% |
| CHEMBL5028 | O14672 | ADAM10 | 82.92% | 97.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.50% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.80% | 95.56% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 81.28% | 95.92% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.59% | 100.00% |
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.
| Acritopappus confertus |
| PubChem | 163090516 |
| LOTUS | LTS0119005 |
| wikiData | Q105174956 |