2,6,8-Trihydroxy-3-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
| Internal ID | 315abc40-4391-483b-91d8-bba8db47ee3e |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanols |
| IUPAC Name | 2,6,8-trihydroxy-3-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C2C(OC3=C(C2=O)C=C(C=C3O)O)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)O)C2C(OC3=C(C2=O)C=C(C=C3O)O)O |
| InChI | InChI=1S/C15H12O8/c16-6-3-7-12(20)11(15(22)23-14(7)10(19)4-6)5-1-8(17)13(21)9(18)2-5/h1-4,11,15-19,21-22H |
| InChI Key | VTQWLOFZFQPZQU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H12O8 |
| Molecular Weight | 320.25 g/mol |
| Exact Mass | 320.05321734 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
| 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 | 98.80% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.67% | 91.49% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 92.32% | 96.12% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.82% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.83% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.68% | 93.40% |
| CHEMBL3194 | P02766 | Transthyretin | 88.15% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.75% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.15% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.30% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.81% | 90.71% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.23% | 95.64% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.35% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 80.83% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.71% | 94.73% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.65% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.63% | 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.
| Echinocereus triglochidiatus |
| PubChem | 162871988 |
| LOTUS | LTS0026426 |
| wikiData | Q105292946 |