3,5-Dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]chromen-4-one
| Internal ID | 9b8f6ee4-d070-4c5d-bf0c-371dc7eeb52d |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 3,5-dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]chromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC=C(C=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)OC5C(C(C(C(O5)C)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=CC=C(C=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)OC5C(C(C(C(O5)C)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C27H30O14/c1-9-17(29)20(32)23(35)26(37-9)39-12-5-3-11(4-6-12)25-22(34)19(31)16-14(28)7-13(8-15(16)41-25)40-27-24(36)21(33)18(30)10(2)38-27/h3-10,17-18,20-21,23-24,26-30,32-36H,1-2H3 |
| InChI Key | ZIJRKPBPPDDSDC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O14 |
| Molecular Weight | 578.50 g/mol |
| Exact Mass | 578.16355563 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of 3,5-Dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/6e15d4a0-84dc-11ee-896c-5b809185cc0e.jpg "2D Structure of 3,5-Dihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyphenyl]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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.50% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.39% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.55% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.74% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.67% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.51% | 86.33% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.60% | 95.64% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.67% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.28% | 94.73% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.43% | 97.36% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.17% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 88.96% | 95.78% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.74% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.36% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.80% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.59% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 84.37% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.74% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.41% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.81% | 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.
| Indigofera tinctoria |
| PubChem | 74978076 |
| LOTUS | LTS0185246 |
| wikiData | Q105376397 |