[(2S,3S,4S,5S,6R)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
Internal ID | 33651e01-e832-4e78-a47f-fdbe068482a6 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | [(2S,3S,4S,5S,6R)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
SMILES (Canonical) | CC(=O)OCC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O)O)O |
SMILES (Isomeric) | CC(=O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)O)O)O |
InChI | InChI=1S/C23H22O12/c1-9(24)32-8-18-20(29)21(30)22(31)23(35-18)33-11-5-14(27)19-15(28)7-16(34-17(19)6-11)10-2-3-12(25)13(26)4-10/h2-7,18,20-23,25-27,29-31H,8H2,1H3/t18-,20+,21-,22-,23-/m0/s1 |
InChI Key | BURUDCAXNNYPGK-UVVBHOOISA-N |
Popularity | 0 references in papers |
Molecular Formula | C23H22O12 |
Molecular Weight | 490.40 g/mol |
Exact Mass | 490.11112613 g/mol |
Topological Polar Surface Area (TPSA) | 192.00 Ų |
XlogP | 0.50 |
There are no found synonyms. |
![2D Structure of [(2S,3S,4S,5S,6R)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate 2D Structure of [(2S,3S,4S,5S,6R)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/09ed0440-8510-11ee-90c3-7b8dc29ce3f6.jpg)
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 | 99.50% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.99% | 91.49% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.32% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 96.83% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.20% | 89.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.99% | 99.15% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.37% | 94.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.12% | 94.73% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.95% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.97% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.67% | 94.45% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.65% | 95.78% |
CHEMBL3194 | P02766 | Transthyretin | 84.64% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.30% | 99.17% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.11% | 97.09% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.07% | 90.71% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.17% | 94.80% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.13% | 95.89% |
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.
Campanula patula |
PubChem | 162881844 |
LOTUS | LTS0267237 |
wikiData | Q104946285 |