(3E,5R)-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-3-[(2E,4E,6E,8R,10R)-1-hydroxy-6,8,10-trimethyldodeca-2,4,6-trienylidene]pyrrolidine-2,4-dione
| Internal ID | e2704954-aa83-43db-8b34-d0c18da4182d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | (3E,5R)-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-3-[(2E,4E,6E,8R,10R)-1-hydroxy-6,8,10-trimethyldodeca-2,4,6-trienylidene]pyrrolidine-2,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H33NO5/c1-5-16(2)14-18(4)15-17(3)8-6-7-9-21(29)22-25(31)23(27-26(22)32)24(30)19-10-12-20(28)13-11-19/h6-13,15-16,18,23-24,28-30H,5,14H2,1-4H3,(H,27,32)/b8-6+,9-7+,17-15+,22-21+/t16-,18-,23-,24-/m1/s1 |
| InChI Key | NKHVQSJVSMTQID-LLBHRJRKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H33NO5 |
| Molecular Weight | 439.50 g/mol |
| Exact Mass | 439.23587315 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of (3E,5R)-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-3-[(2E,4E,6E,8R,10R)-1-hydroxy-6,8,10-trimethyldodeca-2,4,6-trienylidene]pyrrolidine-2,4-dione](https://plantaedb.com/storage/docs/compounds/2023/11/cd741f90-8628-11ee-8f2d-4d1b16e55970.jpg "2D Structure of (3E,5R)-5-[(R)-hydroxy-(4-hydroxyphenyl)methyl]-3-[(2E,4E,6E,8R,10R)-1-hydroxy-6,8,10-trimethyldodeca-2,4,6-trienylidene]pyrrolidine-2,4-dione")
| 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 | 99.16% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.38% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.23% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.10% | 95.56% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 91.79% | 98.35% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.96% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.86% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.79% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.49% | 97.25% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.13% | 94.73% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 84.64% | 83.10% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.64% | 90.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.48% | 94.75% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.36% | 95.64% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.09% | 98.59% |
| CHEMBL268 | P43235 | Cathepsin K | 82.46% | 96.85% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.35% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.25% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.71% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.46% | 91.71% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 81.28% | 91.23% |
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.
| There are no matching plants. |
| PubChem | 163187311 |
| LOTUS | LTS0111466 |
| wikiData | Q105180602 |