2-[[3,7-bis(3,4-dihydroxyphenyl)-4,6-dihydroxy-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-2-yl]methyl]benzene-1,3,5-triol
| Internal ID | 9e07db25-9cf0-4952-b563-f0b41c14c445 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Catechins |
| IUPAC Name | 2-[[3,7-bis(3,4-dihydroxyphenyl)-4,6-dihydroxy-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-2-yl]methyl]benzene-1,3,5-triol |
| SMILES (Canonical) | C1C(C(OC2=CC3=C(C(C(O3)CC4=C(C=C(C=C4O)O)O)C5=CC(=C(C=C5)O)O)C(=C21)O)C6=CC(=C(C=C6)O)O)O |
| SMILES (Isomeric) | C1C(C(OC2=CC3=C(C(C(O3)CC4=C(C=C(C=C4O)O)O)C5=CC(=C(C=C5)O)O)C(=C21)O)C6=CC(=C(C=C6)O)O)O |
| InChI | InChI=1S/C30H26O11/c31-14-7-19(34)15(20(35)8-14)10-25-27(12-1-3-17(32)21(36)5-12)28-26(40-25)11-24-16(29(28)39)9-23(38)30(41-24)13-2-4-18(33)22(37)6-13/h1-8,11,23,25,27,30-39H,9-10H2 |
| InChI Key | FFCVTFZKQFEUKL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H26O11 |
| Molecular Weight | 562.50 g/mol |
| Exact Mass | 562.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 201.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of 2-[[3,7-bis(3,4-dihydroxyphenyl)-4,6-dihydroxy-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-2-yl]methyl]benzene-1,3,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/bc0401f0-8546-11ee-a761-2b1aa4a9a6a9.jpg "2D Structure of 2-[[3,7-bis(3,4-dihydroxyphenyl)-4,6-dihydroxy-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-2-yl]methyl]benzene-1,3,5-triol")
| 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 | 99.70% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.46% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.26% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.10% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.55% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.18% | 99.15% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 89.83% | 96.37% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.26% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.76% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.21% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.15% | 95.89% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.11% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.08% | 95.56% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.88% | 95.78% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.54% | 89.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.27% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.20% | 90.00% |
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.
| Sanguisorba officinalis |
| PubChem | 73822598 |
| LOTUS | LTS0219523 |
| wikiData | Q104994355 |