7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Internal ID | e378f77b-8d19-455c-8bae-0b507e8aa99c |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
SMILES (Isomeric) | C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O |
InChI | InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18-,20-,21-,22+,23+,24+,25-,26-,27-/m1/s1 |
InChI Key | RPMNUQRUHXIGHK-FLPYCHHVSA-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 | -0.20 |
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 | 99.46% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.80% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 97.38% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.76% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.63% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.15% | 86.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.07% | 94.73% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.07% | 97.36% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.98% | 99.15% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.77% | 86.92% |
CHEMBL242 | Q92731 | Estrogen receptor beta | 88.44% | 98.35% |
CHEMBL3194 | P02766 | Transthyretin | 88.44% | 90.71% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 87.12% | 83.57% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.30% | 95.56% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.26% | 96.21% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.77% | 95.78% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.77% | 85.14% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.42% | 97.09% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.02% | 90.71% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.34% | 95.89% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.28% | 95.89% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.18% | 99.17% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.66% | 93.10% |
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.
Carallia brachiata |
PubChem | 163068864 |
LOTUS | LTS0222932 |
wikiData | Q105242783 |