(7S,10R)-12-[(E)-4-(2,5-dihydroxy-3-methylphenyl)-2-methylbut-2-enyl]-10-hydroxy-6,6,9,9-tetramethyl-8-oxabicyclo[5.4.1]dodec-1(12)-en-2-one
| Internal ID | 35ffb67b-b2a5-45f0-89eb-6d28caba66e3 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylated hydroquinones |
| IUPAC Name | (7S,10R)-12-[(E)-4-(2,5-dihydroxy-3-methylphenyl)-2-methylbut-2-enyl]-10-hydroxy-6,6,9,9-tetramethyl-8-oxabicyclo[5.4.1]dodec-1(12)-en-2-one |
| SMILES (Canonical) | CC1=CC(=CC(=C1O)CC=C(C)CC2=C3CC(C(OC2C(CCCC3=O)(C)C)(C)C)O)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1O)C/C=C(\C)/CC2=C3C[C@H](C(O[C@H]2C(CCCC3=O)(C)C)(C)C)O)O |
| InChI | InChI=1S/C27H38O5/c1-16(9-10-18-14-19(28)13-17(2)24(18)31)12-21-20-15-23(30)27(5,6)32-25(21)26(3,4)11-7-8-22(20)29/h9,13-14,23,25,28,30-31H,7-8,10-12,15H2,1-6H3/b16-9+/t23-,25-/m1/s1 |
| InChI Key | WXFPZMDPYITLJE-WCHVBPPMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H38O5 |
| Molecular Weight | 442.60 g/mol |
| Exact Mass | 442.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (7S,10R)-12-[(E)-4-(2,5-dihydroxy-3-methylphenyl)-2-methylbut-2-enyl]-10-hydroxy-6,6,9,9-tetramethyl-8-oxabicyclo[5.4.1]dodec-1(12)-en-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/8f62dd70-874f-11ee-b04a-d5a1f0e688e1.jpg "2D Structure of (7S,10R)-12-[(E)-4-(2,5-dihydroxy-3-methylphenyl)-2-methylbut-2-enyl]-10-hydroxy-6,6,9,9-tetramethyl-8-oxabicyclo[5.4.1]dodec-1(12)-en-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.59% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.11% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.95% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.77% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.49% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.87% | 95.56% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.38% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.37% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.96% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.36% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.01% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.65% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.39% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.79% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.59% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.13% | 97.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.68% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.03% | 90.71% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.98% | 97.28% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.86% | 95.50% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.82% | 91.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.80% | 92.62% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.46% | 96.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.20% | 96.43% |
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 | 163189404 |
| LOTUS | LTS0181696 |
| wikiData | Q105314571 |