5-Hydroxy-2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-10-[2-(oxiran-2-yl)propan-2-yl]pyrano[3,2-g]chromen-8-one
| Internal ID | 6dc2f8c7-7cbe-4d4e-b5a1-3e3383882f8c |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Pyranocoumarins > Linear pyranocoumarins |
| IUPAC Name | 5-hydroxy-2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-10-[2-(oxiran-2-yl)propan-2-yl]pyrano[3,2-g]chromen-8-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H28O5/c1-8-22(2,3)15-11-14-18(25)13-9-10-23(4,5)29-20(13)17(19(14)28-21(15)26)24(6,7)16-12-27-16/h8-11,16,25H,1,12H2,2-7H3 |
| InChI Key | IYPNGWLLGHHVAB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28O5 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 68.30 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-10-[2-(oxiran-2-yl)propan-2-yl]pyrano[3,2-g]chromen-8-one](https://plantaedb.com/storage/docs/compounds/2023/11/22976180-8654-11ee-a252-e96b61ae66dd.jpg "2D Structure of 5-Hydroxy-2,2-dimethyl-7-(2-methylbut-3-en-2-yl)-10-[2-(oxiran-2-yl)propan-2-yl]pyrano[3,2-g]chromen-8-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 | 99.67% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.04% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.03% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.52% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.42% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.20% | 83.82% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.60% | 94.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 88.90% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.04% | 99.23% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 87.34% | 83.57% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.82% | 86.33% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.73% | 95.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.41% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.35% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.80% | 94.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.65% | 80.96% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.17% | 92.88% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.99% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.63% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.22% | 92.62% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.58% | 96.77% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.27% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.58% | 90.71% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.45% | 90.93% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.22% | 91.07% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.17% | 96.43% |
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.
| There are no matching plants. |
| PubChem | 15101826 |
| LOTUS | LTS0055747 |
| wikiData | Q105122859 |