6-(2,3-Dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one
| Internal ID | 21da7f64-3948-495b-996f-5218c250b0a0 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens > 5-methoxypsoralens |
| IUPAC Name | 6-(2,3-dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H18O6/c1-17(2,20)14(18)7-9-6-11-13(23-16(9)19)8-12-10(4-5-22-12)15(11)21-3/h4-6,8,14,18,20H,7H2,1-3H3 |
| InChI Key | DAVFRMKSTZLULF-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H18O6 |
| Molecular Weight | 318.32 g/mol |
| Exact Mass | 318.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 89.10 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 6-(2,3-Dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]chromen-7-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-23-dihydroxy-3-methylbutyl-4-methoxyfuro32-gchromen-7-one.jpg "2D Structure of 6-(2,3-Dihydroxy-3-methylbutyl)-4-methoxyfuro[3,2-g]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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.24% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.00% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.40% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.04% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.40% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.42% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.14% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.89% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.79% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.15% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.96% | 89.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.30% | 93.65% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.92% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.87% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.54% | 92.62% |
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.
| Dorstenia gigas |
| PubChem | 90986588 |
| LOTUS | LTS0085486 |
| wikiData | Q104974012 |