2-(5,6-Dihydroxy-1-benzofuran-4-yl)-5-hydroxy-6-[6-hydroxy-4-(5-hydroxy-8,8-dimethyl-4-oxopyrano[2,3-h]chromen-2-yl)-1-benzofuran-5-yl]-8,8-dimethylpyrano[2,3-h]chromen-4-one
| Internal ID | 48d4719c-014b-449f-bff7-9b666e2de3e8 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids |
| IUPAC Name | 2-(5,6-dihydroxy-1-benzofuran-4-yl)-5-hydroxy-6-[6-hydroxy-4-(5-hydroxy-8,8-dimethyl-4-oxopyrano[2,3-h]chromen-2-yl)-1-benzofuran-5-yl]-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=C(C(=CC5=C4C=CO5)O)C6=C7C(=C8C(=C6O)C(=O)C=C(O8)C9=C(C(=CC1=C9C=CO1)O)O)C=CC(O7)(C)C)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=C(C(=CC5=C4C=CO5)O)C6=C7C(=C8C(=C6O)C(=O)C=C(O8)C9=C(C(=CC1=C9C=CO1)O)O)C=CC(O7)(C)C)O)C |
| InChI | InChI=1S/C44H30O13/c1-43(2)9-5-20-29(56-43)14-22(45)34-23(46)15-30(54-40(20)34)32-18-7-11-52-27(18)13-24(47)35(32)37-39(51)36-25(48)16-31(33-19-8-12-53-28(19)17-26(49)38(33)50)55-41(36)21-6-10-44(3,4)57-42(21)37/h5-17,45,47,49-51H,1-4H3 |
| InChI Key | DLSDNRODTNHKPM-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C44H30O13 |
| Molecular Weight | 766.70 g/mol |
| Exact Mass | 766.16864101 g/mol |
| Topological Polar Surface Area (TPSA) | 198.00 Ų |
| XlogP | 8.00 |
| There are no found synonyms. |
![2D Structure of 2-(5,6-Dihydroxy-1-benzofuran-4-yl)-5-hydroxy-6-[6-hydroxy-4-(5-hydroxy-8,8-dimethyl-4-oxopyrano[2,3-h]chromen-2-yl)-1-benzofuran-5-yl]-8,8-dimethylpyrano[2,3-h]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/20761290-8537-11ee-b839-214fb3678df4.jpg "2D Structure of 2-(5,6-Dihydroxy-1-benzofuran-4-yl)-5-hydroxy-6-[6-hydroxy-4-(5-hydroxy-8,8-dimethyl-4-oxopyrano[2,3-h]chromen-2-yl)-1-benzofuran-5-yl]-8,8-dimethylpyrano[2,3-h]chromen-4-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 | 99.83% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.08% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.57% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.03% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.05% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.61% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.32% | 99.15% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.98% | 93.99% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.53% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.43% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.01% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.91% | 95.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.33% | 85.11% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 87.45% | 91.38% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.23% | 93.65% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 85.14% | 95.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.26% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.92% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 81.56% | 90.71% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.13% | 94.75% |
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.
| Leucaena diversifolia |
| PubChem | 12992491 |
| LOTUS | LTS0054245 |
| wikiData | Q104984649 |