4-[(7-Hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one
| Internal ID | 437a490d-8618-41a8-94a8-3a6e0045593a |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 4-[(7-hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one |
| SMILES (Canonical) | CC1C(COC1=O)C(C2=CC(=C3C(=C2)OCO3)O)C4=CC(=C(C(=C4)OC)OC)OC |
| SMILES (Isomeric) | CC1C(COC1=O)C(C2=CC(=C3C(=C2)OCO3)O)C4=CC(=C(C(=C4)OC)OC)OC |
| InChI | InChI=1S/C22H24O8/c1-11-14(9-28-22(11)24)19(12-5-15(23)20-18(8-12)29-10-30-20)13-6-16(25-2)21(27-4)17(7-13)26-3/h5-8,11,14,19,23H,9-10H2,1-4H3 |
| InChI Key | BDTQRNLZMXMMNK-UHFFFAOYSA-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 4-[(7-Hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methyl]-3-methyloxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-7-hydroxy-13-benzodioxol-5-yl-345-trimethoxyphenylmethyl-3-methyloxolan-2-one.jpg "2D Structure of 4-[(7-Hydroxy-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)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 | 97.97% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.10% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.71% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.31% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.63% | 96.09% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 93.36% | 96.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.94% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.90% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.29% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.50% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.40% | 92.62% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 87.84% | 82.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.64% | 99.15% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.36% | 89.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.96% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.46% | 94.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 85.61% | 96.86% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.88% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.47% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.44% | 96.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.74% | 90.20% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.49% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.45% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.26% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.22% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.10% | 91.19% |
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 | 162903533 |
| LOTUS | LTS0043043 |
| wikiData | Q104924698 |