Methyl 2-(7-oxopyrano[2,3-g][1,4]benzodioxin-2-ylidene)propanoate
| Internal ID | e1bce695-fb64-4c3c-b194-1ff46d42398c |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > p-Dioxolo[2,3-g]coumarins |
| IUPAC Name | methyl 2-(7-oxopyrano[2,3-g][1,4]benzodioxin-2-ylidene)propanoate |
| SMILES (Canonical) | CC(=C1COC2=C(O1)C=C3C=CC(=O)OC3=C2)C(=O)OC |
| SMILES (Isomeric) | CC(=C1COC2=C(O1)C=C3C=CC(=O)OC3=C2)C(=O)OC |
| InChI | InChI=1S/C15H12O6/c1-8(15(17)18-2)13-7-19-11-6-10-9(5-12(11)20-13)3-4-14(16)21-10/h3-6H,7H2,1-2H3 |
| InChI Key | HTLGPHRHFMZQSC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H12O6 |
| Molecular Weight | 288.25 g/mol |
| Exact Mass | 288.06338810 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of Methyl 2-(7-oxopyrano[2,3-g][1,4]benzodioxin-2-ylidene)propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/methyl-2-7-oxopyrano23-g14benzodioxin-2-ylidenepropanoate.jpg "2D Structure of Methyl 2-(7-oxopyrano[2,3-g][1,4]benzodioxin-2-ylidene)propanoate")
| 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 | 96.72% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.61% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.55% | 83.82% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.18% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.14% | 85.30% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.12% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.98% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.34% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.72% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.03% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.66% | 99.17% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.48% | 80.96% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.99% | 96.95% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 81.72% | 81.11% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.58% | 94.42% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.34% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.85% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.09% | 90.71% |
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.
| Leontopodium nanum |
| PubChem | 162880864 |
| LOTUS | LTS0078039 |
| wikiData | Q105033487 |