(3S,5R)-3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-[(4-hydroxyphenyl)methyl]oxolan-2-one
| Internal ID | 3ba66e92-7417-4167-9ace-81f3a2c859e6 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | (3S,5R)-3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-[(4-hydroxyphenyl)methyl]oxolan-2-one |
| SMILES (Canonical) | CC(=CCC1=C(C=C(C=C1)C2CC(OC2=O)CC3=CC=C(C=C3)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C(C=C1)[C@@H]2C[C@@H](OC2=O)CC3=CC=C(C=C3)O)O)C |
| InChI | InChI=1S/C22H24O4/c1-14(2)3-6-16-7-8-17(12-21(16)24)20-13-19(26-22(20)25)11-15-4-9-18(23)10-5-15/h3-5,7-10,12,19-20,23-24H,6,11,13H2,1-2H3/t19-,20-/m0/s1 |
| InChI Key | YOBDVZGDIRRERU-PMACEKPBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O4 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (3S,5R)-3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-[(4-hydroxyphenyl)methyl]oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3s5r-3-3-hydroxy-4-3-methylbut-2-enylphenyl-5-4-hydroxyphenylmethyloxolan-2-one.jpg "2D Structure of (3S,5R)-3-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-5-[(4-hydroxyphenyl)methyl]oxolan-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 | 99.29% | 91.11% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.32% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.35% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.56% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.41% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.95% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 93.86% | 93.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.72% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.52% | 91.49% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.34% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.73% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.53% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.88% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.70% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.91% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.59% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.49% | 99.17% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 85.28% | 91.38% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.76% | 97.28% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.72% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.53% | 92.62% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 82.48% | 90.93% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.88% | 94.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.81% | 91.71% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 80.62% | 85.00% |
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.
| There are no matching plants. |
| PubChem | 162999277 |
| LOTUS | LTS0215315 |
| wikiData | Q105351213 |