(2S)-2-[(2R)-2-hydroxy-1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)-5-oxooxolan-2-yl]propan-2-yl]-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
| Internal ID | 72b51b21-5eb9-4fce-b6ee-7fbfa03237d7 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > p-Dioxolo[2,3-h]coumarins |
| IUPAC Name | (2S)-2-[(2R)-2-hydroxy-1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)-5-oxooxolan-2-yl]propan-2-yl]-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H20O9/c1-18(23,6-11-7-19(24,9-20)17(22)26-11)13-8-25-12-4-2-10-3-5-14(21)28-15(10)16(12)27-13/h2-5,11,13,20,23-24H,6-9H2,1H3/t11-,13+,18-,19-/m1/s1 |
| InChI Key | GOTGCQAKGMYEPD-KRGWDZPISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H20O9 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[(2R)-2-hydroxy-1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)-5-oxooxolan-2-yl]propan-2-yl]-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/c99027a0-85bb-11ee-9e20-3787898728dc.jpg "2D Structure of (2S)-2-[(2R)-2-hydroxy-1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)-5-oxooxolan-2-yl]propan-2-yl]-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.05% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.55% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.49% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.42% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.41% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.09% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.70% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.54% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.62% | 99.23% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.47% | 97.79% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.29% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 80.11% | 96.77% |
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.
| Clausena excavata |
| PubChem | 162951394 |
| LOTUS | LTS0079617 |
| wikiData | Q105014551 |