(7aR)-7a-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-6-prop-2-enyl-1,3-benzodioxol-5-one
| Internal ID | 67b28a9e-504f-4524-8cb2-bbe9f8a46892 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids |
| IUPAC Name | (7aR)-7a-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-6-prop-2-enyl-1,3-benzodioxol-5-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H20O5/c1-3-4-15-10-20(19(9-16(15)21)24-12-25-20)13(2)7-14-5-6-17-18(8-14)23-11-22-17/h3,5-6,8-10,13H,1,4,7,11-12H2,2H3/t13-,20-/m0/s1 |
| InChI Key | PZLCJTIYVMBKSJ-RBZFPXEDSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.13107373 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (7aR)-7a-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-6-prop-2-enyl-1,3-benzodioxol-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/7ar-7a-2s-1-13-benzodioxol-5-ylpropan-2-yl-6-prop-2-enyl-13-benzodioxol-5-one.jpg "2D Structure of (7aR)-7a-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-6-prop-2-enyl-1,3-benzodioxol-5-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.43% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.91% | 96.77% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.34% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 97.54% | 94.80% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.30% | 91.11% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 96.25% | 92.51% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 94.98% | 85.30% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.22% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.95% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.53% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.37% | 85.14% |
| CHEMBL240 | Q12809 | HERG | 89.16% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.72% | 96.09% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.99% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.80% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.68% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.07% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.14% | 92.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.48% | 95.50% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.73% | 80.96% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.30% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.44% | 89.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.40% | 97.50% |
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.
| Piper capense |
| PubChem | 163047810 |
| LOTUS | LTS0093172 |
| wikiData | Q105217014 |