(2R)-2-(2-hydroxypropan-2-yl)-5-methoxy-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
| Internal ID | 431aca24-98e3-42df-94ad-7e1184f9e43a |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > p-Dioxolo[2,3-g]coumarins |
| IUPAC Name | (2R)-2-(2-hydroxypropan-2-yl)-5-methoxy-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one |
| SMILES (Canonical) | CC(C)(C1COC2=C(O1)C=C3C=CC(=O)OC3=C2OC)O |
| SMILES (Isomeric) | CC(C)([C@H]1COC2=C(O1)C=C3C=CC(=O)OC3=C2OC)O |
| InChI | InChI=1S/C15H16O6/c1-15(2,17)10-7-19-13-9(20-10)6-8-4-5-11(16)21-12(8)14(13)18-3/h4-6,10,17H,7H2,1-3H3/t10-/m1/s1 |
| InChI Key | ANMZUQFDFDGVSQ-SNVBAGLBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O6 |
| Molecular Weight | 292.28 g/mol |
| Exact Mass | 292.09468823 g/mol |
| Topological Polar Surface Area (TPSA) | 74.20 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of (2R)-2-(2-hydroxypropan-2-yl)-5-methoxy-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/2r-2-2-hydroxypropan-2-yl-5-methoxy-23-dihydropyrano23-g14benzodioxin-7-one.jpg "2D Structure of (2R)-2-(2-hydroxypropan-2-yl)-5-methoxy-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 | 97.79% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.83% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.68% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.68% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.07% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.09% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.22% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.72% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.70% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.62% | 96.77% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.61% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.38% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.15% | 85.14% |
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.
| Haplophyllum obtusifolium |
| PubChem | 162996008 |
| LOTUS | LTS0084385 |
| wikiData | Q104915286 |