5-Hydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
| Internal ID | e0d64bd3-13e6-400a-9716-654b13799b99 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 5-hydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC1(C=CC2=C(C3=C(C=C2O1)OC(CC3=O)C4=CC=CC=C4O)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(C3=C(C=C2O1)OC(CC3=O)C4=CC=CC=C4O)O)C |
| InChI | InChI=1S/C20H18O5/c1-20(2)8-7-12-16(25-20)10-17-18(19(12)23)14(22)9-15(24-17)11-5-3-4-6-13(11)21/h3-8,10,15,21,23H,9H2,1-2H3 |
| InChI Key | CTXOXNJBBDQWCE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H18O5 |
| Molecular Weight | 338.40 g/mol |
| Exact Mass | 338.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 5-Hydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-hydroxy-8-2-hydroxyphenyl-22-dimethyl-78-dihydropyrano32-gchromen-6-one.jpg "2D Structure of 5-Hydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-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 | 99.65% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.80% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.81% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.93% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.35% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.39% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.85% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.31% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.20% | 99.23% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 86.51% | 85.11% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 83.11% | 95.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.96% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.43% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.99% | 99.15% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.71% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.94% | 86.33% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.43% | 90.71% |
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.
| Terminalia buceras |
| PubChem | 10936669 |
| LOTUS | LTS0087617 |
| wikiData | Q104970119 |