4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-[1,3]dioxolo[4,5-f]chromen-7-one
| Internal ID | e64ecad8-8d1c-4e25-8428-04838bff28ae |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives |
| IUPAC Name | 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-[1,3]dioxolo[4,5-f]chromen-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H16O7/c1-15(2,18)11(16)6-19-10-5-9-8(3-4-12(17)22-9)13-14(10)21-7-20-13/h3-5,11,16,18H,6-7H2,1-2H3/t11-/m1/s1 |
| InChI Key | DCHOCALQKLMFKN-LLVKDONJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H16O7 |
| Molecular Weight | 308.28 g/mol |
| Exact Mass | 308.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 94.50 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-[1,3]dioxolo[4,5-f]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/4-2r-23-dihydroxy-3-methylbutoxy-13dioxolo45-fchromen-7-one.jpg "2D Structure of 4-[(2R)-2,3-dihydroxy-3-methylbutoxy]-[1,3]dioxolo[4,5-f]chromen-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.56% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.25% | 98.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 94.23% | 92.51% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.03% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.66% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.37% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.86% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.78% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.20% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.61% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.53% | 99.17% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 84.15% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.43% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.18% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.09% | 97.21% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.51% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.72% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.53% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.52% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.04% | 96.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.84% | 97.25% |
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.
| Pterocaulon balansae |
| PubChem | 162882029 |
| LOTUS | LTS0056271 |
| wikiData | Q104975393 |