1-Propanone, 1-(7-methoxy-1,3-benzodioxol-5-yl)-
| Internal ID | 2bc1c573-0272-4c64-9276-49daccb48e0a |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-1-one |
| SMILES (Canonical) | CCC(=O)C1=CC2=C(C(=C1)OC)OCO2 |
| SMILES (Isomeric) | CCC(=O)C1=CC2=C(C(=C1)OC)OCO2 |
| InChI | InChI=1S/C11H12O4/c1-3-8(12)7-4-9(13-2)11-10(5-7)14-6-15-11/h4-5H,3,6H2,1-2H3 |
| InChI Key | VQZAATPWXSLYBI-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.21 g/mol |
| Exact Mass | 208.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 44.80 Ų |
| XlogP | 1.90 |
| Crocatone |
| 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-1-one |
| latifolone |
| 1-Propanone, 1-(7-methoxy-1,3-benzodioxol-5-yl)- |
| Radiatinol methyl ether |
| 1-(7-Methoxy-2H-1,3-benzodioxol-5-yl)propan-1-one |
| 1-(7-Methoxybenzo[d][1,3]dioxol-5-yl)propan-1-one |
| SCHEMBL5743163 |
| DTXSID10173714 |
| AKOS016347670 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.64% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.59% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.54% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.58% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.57% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.27% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.11% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.98% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.56% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.36% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.32% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.26% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.38% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.02% | 97.21% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.39% | 89.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.39% | 98.95% |
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.
| Athamanta vayredana |
| Ferula caucasica |
| Ferula kirialovii |
| Ferula latipinna |
| Ferula tingitana |
| Thapsia villosa |
| Todaroa aurea |
| Zeravschania pauciradiata |
| PubChem | 177099 |
| LOTUS | LTS0158032 |
| wikiData | Q67879984 |