5-hydroxy-7-[(2S,3R)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-2,2-dimethylpyrano[3,2-g]chromen-6-one
| Internal ID | 0b432932-f06a-4bbb-ad7f-95d89c380d96 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 6-prenylated isoflavanones |
| IUPAC Name | 5-hydroxy-7-[(2S,3R)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-2,2-dimethylpyrano[3,2-g]chromen-6-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC5=C(C=C4)OC(C5O)C(C)(C)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C(=CO3)C4=CC5=C(C=C4)O[C@@H]([C@@H]5O)C(C)(C)O)C |
| InChI | InChI=1S/C25H24O7/c1-24(2)8-7-13-17(32-24)10-18-19(20(13)26)21(27)15(11-30-18)12-5-6-16-14(9-12)22(28)23(31-16)25(3,4)29/h5-11,22-23,26,28-29H,1-4H3/t22-,23+/m1/s1 |
| InChI Key | VPGYLQVOIUEAJO-PKTZIBPZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H24O7 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 5-hydroxy-7-[(2S,3R)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-2,2-dimethylpyrano[3,2-g]chromen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/c6f11550-85cc-11ee-a6ae-874e7ef1caa4.jpg "2D Structure of 5-hydroxy-7-[(2S,3R)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]-2,2-dimethylpyrano[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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.01% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.84% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.89% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.55% | 89.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 90.96% | 95.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.76% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.35% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.46% | 99.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.34% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.84% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.65% | 95.56% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.51% | 80.96% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.11% | 94.45% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.01% | 95.78% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.69% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.59% | 94.73% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.21% | 85.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.62% | 97.14% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.58% | 97.28% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 80.23% | 94.42% |
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.
| Deguelia scandens |
| PubChem | 163040776 |
| LOTUS | LTS0085002 |
| wikiData | Q105290782 |