6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Internal ID | 3b5b653b-1239-4ac8-b9ea-ce907ce9e653 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
IUPAC Name | 6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2COC(C(C2O)O)OC3=C(C=C4C(=C3O)C(=O)C=C(O4)C5=CC=C(C=C5)O)OC)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)OC3=C(C=C4C(=C3O)C(=O)C=C(O4)C5=CC=C(C=C5)O)OC)O)O)O |
InChI | InChI=1S/C27H30O14/c1-10-19(30)22(33)24(35)27(38-10)40-17-9-37-26(23(34)20(17)31)41-25-16(36-2)8-15-18(21(25)32)13(29)7-14(39-15)11-3-5-12(28)6-4-11/h3-8,10,17,19-20,22-24,26-28,30-35H,9H2,1-2H3/t10-,17+,19-,20-,22+,23+,24+,26-,27+/m0/s1 |
InChI Key | UUDKPWBINGHXLV-IMSLJOEUSA-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) | 214.00 Ų |
XlogP | -0.20 |
There are no found synonyms. |
![2D Structure of 6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one 2D Structure of 6-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/e1e962a0-8658-11ee-afc0-a3780b6f1e44.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% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.57% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 97.35% | 94.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.01% | 85.14% |
CHEMBL2581 | P07339 | Cathepsin D | 95.22% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.53% | 86.33% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 94.30% | 90.71% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.99% | 91.49% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.12% | 95.56% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.46% | 96.21% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.42% | 99.17% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.39% | 95.89% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.50% | 95.78% |
CHEMBL3194 | P02766 | Transthyretin | 83.77% | 90.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.48% | 99.23% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.78% | 95.89% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.31% | 97.09% |
CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.20% | 97.33% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.11% | 97.36% |
CHEMBL4208 | P20618 | Proteasome component C5 | 80.51% | 90.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.26% | 92.94% |
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.
Sorbaria sorbifolia |
PubChem | 162903006 |
LOTUS | LTS0223245 |
wikiData | Q105220848 |