6-[5-[(4,6-Dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
| Internal ID | 8c92d6c4-a7db-434c-9d07-2b0cacc9efa8 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones |
| IUPAC Name | 6-[5-[(4,6-dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | C1C(OC2=C(C1=O)C(=C(C(=C2)O)C3=C(C(=CC(=C3)C=C4C(=O)C5=C(C=C(C=C5O4)O)O)O)O)O)C6=CC(=C(C=C6)O)O |
| SMILES (Isomeric) | C1C(OC2=C(C1=O)C(=C(C(=C2)O)C3=C(C(=CC(=C3)C=C4C(=O)C5=C(C=C(C=C5O4)O)O)O)O)O)C6=CC(=C(C=C6)O)O |
| InChI | InChI=1S/C30H20O12/c31-13-7-17(34)26-22(8-13)42-24(29(26)39)5-11-3-14(28(38)20(37)4-11)25-18(35)10-23-27(30(25)40)19(36)9-21(41-23)12-1-2-15(32)16(33)6-12/h1-8,10,21,31-35,37-38,40H,9H2 |
| InChI Key | RMZGHKUKGHAYHG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H20O12 |
| Molecular Weight | 572.50 g/mol |
| Exact Mass | 572.09547607 g/mol |
| Topological Polar Surface Area (TPSA) | 214.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 6-[5-[(4,6-Dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1467ac30-863b-11ee-87c9-b3f9829d9f57.jpg "2D Structure of 6-[5-[(4,6-Dihydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-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 | 99.82% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.58% | 91.49% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 97.86% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.99% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.17% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.38% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.36% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 93.98% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.29% | 97.09% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 89.46% | 83.14% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.40% | 99.15% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.47% | 85.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.22% | 98.95% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.12% | 96.38% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.63% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.50% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.92% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.57% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.38% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.11% | 95.89% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.66% | 92.68% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.61% | 86.33% |
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.
| Campylopus clavatus |
| PubChem | 163001667 |
| LOTUS | LTS0078947 |
| wikiData | Q105241172 |