[(3S,4R)-4-[(S)-(4-hydroxy-3,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-oxooxolan-3-yl]methyl acetate
| Internal ID | c67b1c44-c9e7-4a30-8090-98b782e44ea1 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | [(3S,4R)-4-[(S)-(4-hydroxy-3,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-oxooxolan-3-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1C(COC1=O)C(C2=CC3=C(C(=C2)OC)OCO3)C4=CC(=C(C(=C4)OC)O)OC |
| SMILES (Isomeric) | CC(=O)OC[C@@H]1[C@H](COC1=O)[C@H](C2=CC3=C(C(=C2)OC)OCO3)C4=CC(=C(C(=C4)OC)O)OC |
| InChI | InChI=1S/C24H26O10/c1-12(25)31-10-16-15(9-32-24(16)27)21(13-5-17(28-2)22(26)18(6-13)29-3)14-7-19(30-4)23-20(8-14)33-11-34-23/h5-8,15-16,21,26H,9-11H2,1-4H3/t15-,16+,21-/m0/s1 |
| InChI Key | KERKFCAENSLKLT-MRUHUIDDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26O10 |
| Molecular Weight | 474.50 g/mol |
| Exact Mass | 474.15259702 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of [(3S,4R)-4-[(S)-(4-hydroxy-3,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-oxooxolan-3-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/33afd790-8610-11ee-b774-6b26ca2b446e.jpg "2D Structure of [(3S,4R)-4-[(S)-(4-hydroxy-3,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2-oxooxolan-3-yl]methyl acetate")
| 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 | 98.83% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.25% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.63% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.36% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.88% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.51% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.37% | 94.80% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.52% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.22% | 89.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 91.36% | 89.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.94% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.90% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.06% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.02% | 97.25% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.04% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.05% | 89.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.98% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.47% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.97% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.07% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.89% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.20% | 97.09% |
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.
| Peperomia heyneana |
| PubChem | 163045161 |
| LOTUS | LTS0154606 |
| wikiData | Q105140154 |