2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7,8-dihydro-8-(4-hydroxyphenyl)-2,2-dimethyl-, (S)-
| Internal ID | f9e9d358-a86e-410f-8c0f-929e534d3f3a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H18O4/c1-20(2)8-7-13-9-15-16(22)10-17(12-3-5-14(21)6-4-12)23-19(15)11-18(13)24-20/h3-9,11,17,21H,10H2,1-2H3 |
| InChI Key | AZNAWXMYPBINIJ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H18O4 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.50 |
| 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7,8-dihydro-8-(4-hydroxyphenyl)-2,2-dimethyl-, (S)- |
![2D Structure of 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7,8-dihydro-8-(4-hydroxyphenyl)-2,2-dimethyl-, (S)-](https://plantaedb.com/storage/docs/compounds/2023/11/2h6h-benzo12-b54-bdipyran-6-one-78-dihydro-8-4-hydroxyphenyl-22-dimethyl-s-.jpg "2D Structure of 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 7,8-dihydro-8-(4-hydroxyphenyl)-2,2-dimethyl-, (S)-")
| 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 | 96.68% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.64% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.21% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.51% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.06% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.30% | 97.09% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 87.26% | 85.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.97% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.76% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.21% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.31% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.54% | 93.40% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.51% | 96.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.16% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.89% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.88% | 94.45% |
| CHEMBL236 | P41143 | Delta opioid receptor | 82.45% | 99.35% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.26% | 91.49% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 80.45% | 95.71% |
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.
| Cullen corylifolium |
| PubChem | 72991213 |
| LOTUS | LTS0158165 |
| wikiData | Q104921808 |