4-[(4-Hydroxy-3,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylideneoxolan-2-one
| Internal ID | 567ee41d-de8d-47f6-86df-cd05e80fc6df |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | 4-[(4-hydroxy-3,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylideneoxolan-2-one |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C(C2COC(=O)C2=C)C3=CC4=C(C(=C3)OC)OCO4 |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C(C2COC(=O)C2=C)C3=CC4=C(C(=C3)OC)OCO4 |
| InChI | InChI=1S/C22H22O8/c1-11-14(9-28-22(11)24)19(12-5-15(25-2)20(23)16(6-12)26-3)13-7-17(27-4)21-18(8-13)29-10-30-21/h5-8,14,19,23H,1,9-10H2,2-4H3 |
| InChI Key | UGKOGWUDRSXQOZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H22O8 |
| Molecular Weight | 414.40 g/mol |
| Exact Mass | 414.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 4-[(4-Hydroxy-3,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylideneoxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-4-hydroxy-35-dimethoxyphenyl-7-methoxy-13-benzodioxol-5-ylmethyl-3-methylideneoxolan-2-one.jpg "2D Structure of 4-[(4-Hydroxy-3,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylideneoxolan-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 | 99.26% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.66% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.73% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.82% | 85.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.68% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.26% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.99% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.86% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.41% | 89.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 87.68% | 99.18% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.10% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.58% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.35% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.61% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.19% | 94.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 83.64% | 82.67% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.55% | 93.40% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.91% | 96.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.82% | 94.80% |
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 blanda |
| Peperomia heyneana |
| PubChem | 73009839 |
| LOTUS | LTS0116323 |
| wikiData | Q105272416 |