5-[(2S)-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]benzene-1,2,3-triol
| Internal ID | c6ad0d61-0e5c-42dc-abff-1f28030d5156 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Hydroxyflavonoids > 7-hydroxyflavonoids |
| IUPAC Name | 5-[(2S)-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]benzene-1,2,3-triol |
| SMILES (Canonical) | C1CC2=C(C=C(C=C2OC1C3=CC(=C(C(=C3)O)O)O)O)O |
| SMILES (Isomeric) | C1CC2=C(C=C(C=C2O[C@@H]1C3=CC(=C(C(=C3)O)O)O)O)O |
| InChI | InChI=1S/C15H14O6/c16-8-5-10(17)9-1-2-13(21-14(9)6-8)7-3-11(18)15(20)12(19)4-7/h3-6,13,16-20H,1-2H2/t13-/m0/s1 |
| InChI Key | VBMMNHVFWRTWNL-ZDUSSCGKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H14O6 |
| Molecular Weight | 290.27 g/mol |
| Exact Mass | 290.07903816 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 5-[(2S)-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]benzene-1,2,3-triol](https://plantaedb.com/storage/docs/compounds/2023/11/5-2s-57-dihydroxy-34-dihydro-2h-chromen-2-ylbenzene-123-triol.jpg "2D Structure of 5-[(2S)-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]benzene-1,2,3-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 | 99.45% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.25% | 93.40% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.53% | 96.12% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.51% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.85% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.79% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.26% | 92.94% |
| CHEMBL3194 | P02766 | Transthyretin | 87.64% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.66% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.07% | 100.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.88% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.57% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.55% | 99.15% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.49% | 88.48% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.43% | 95.89% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 80.82% | 85.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.62% | 94.45% |
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.
| Archidendron clypearia |
| PubChem | 44236854 |
| LOTUS | LTS0069770 |
| wikiData | Q105283354 |