(3S,4R)-4-[(S)-(3-hydroxy-4,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one
| Internal ID | a361071c-c18c-4898-817c-f23826df684c |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (3S,4R)-4-[(S)-(3-hydroxy-4,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one |
| SMILES (Canonical) | CC1C(COC1=O)C(C2=CC(=C(C(=C2)OC)OC)O)C3=CC4=C(C(=C3)OC)OCO4 |
| SMILES (Isomeric) | C[C@H]1[C@H](COC1=O)[C@@H](C2=CC(=C(C(=C2)OC)OC)O)C3=CC4=C(C(=C3)OC)OCO4 |
| InChI | InChI=1S/C22H24O8/c1-11-14(9-28-22(11)24)19(12-5-15(23)20(27-4)16(6-12)25-2)13-7-17(26-3)21-18(8-13)29-10-30-21/h5-8,11,14,19,23H,9-10H2,1-4H3/t11-,14-,19-/m0/s1 |
| InChI Key | YQZUTLXALVVZEW-KLRAXDNASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24O8 |
| Molecular Weight | 416.40 g/mol |
| Exact Mass | 416.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (3S,4R)-4-[(S)-(3-hydroxy-4,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/91d1cc40-8759-11ee-85e9-958949b01657.jpg "2D Structure of (3S,4R)-4-[(S)-(3-hydroxy-4,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methyloxolan-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 | 98.17% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.96% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.25% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.20% | 96.09% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 93.44% | 96.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.66% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.22% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.94% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.11% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.72% | 98.75% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.79% | 82.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.59% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.46% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.92% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.91% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.25% | 94.45% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.20% | 89.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.48% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.59% | 89.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.49% | 97.14% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.43% | 96.86% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.59% | 99.15% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.51% | 90.20% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.85% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.75% | 99.17% |
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 pellucida |
| PubChem | 162922569 |
| LOTUS | LTS0081690 |
| wikiData | Q105352679 |