(2S)-10-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
| Internal ID | 5fdc154c-091b-4525-9861-de1c3e1488eb |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > p-Dioxolo[2,3-g]coumarins |
| IUPAC Name | (2S)-10-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one |
| SMILES (Canonical) | CC(=C)C1COC2=C(O1)C(=C3C=CC(=O)OC3=C2)OC |
| SMILES (Isomeric) | CC(=C)[C@H]1COC2=C(O1)C(=C3C=CC(=O)OC3=C2)OC |
| InChI | InChI=1S/C15H14O5/c1-8(2)12-7-18-11-6-10-9(4-5-13(16)19-10)14(17-3)15(11)20-12/h4-6,12H,1,7H2,2-3H3/t12-/m1/s1 |
| InChI Key | JSGLMDMQVBFNPA-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H14O5 |
| Molecular Weight | 274.27 g/mol |
| Exact Mass | 274.08412354 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (2S)-10-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/2s-10-methoxy-2-prop-1-en-2-yl-23-dihydropyrano23-g14benzodioxin-7-one.jpg "2D Structure of (2S)-10-methoxy-2-prop-1-en-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-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 |
|---|---|---|---|---|
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 99.72% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.60% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.07% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.50% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.92% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.52% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.22% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.47% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.44% | 94.80% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 86.34% | 94.03% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.90% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.82% | 100.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.45% | 96.43% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.38% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.36% | 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.
| Cassinia uncata |
| Filago congesta |
| Ozothamnus stirlingii |
| Plecostachys serpyllifolia |
| Podolepis rugata |
| Polycalymma stuartii |
| PubChem | 101244670 |
| LOTUS | LTS0096887 |
| wikiData | Q105134332 |