7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
Internal ID | 626b9b3e-8bb6-4cbe-a0ab-ae9b490a629f |
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-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-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)O)CO)O)O)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H](C(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)O)CO)O)O)O)O)O |
InChI | InChI=1S/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3/t9-,18+,20-,21+,22+,23-,24+,25+,26?,27+/m0/s1 |
InChI Key | SHPPXMGVUDNKLV-LYDGRTCHSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H30O15 |
Molecular Weight | 594.50 g/mol |
Exact Mass | 594.15847025 g/mol |
Topological Polar Surface Area (TPSA) | 245.00 Ų |
XlogP | -0.60 |
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 |
---|---|---|---|---|
CHEMBL1951 | P21397 | Monoamine oxidase A | 99.74% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.71% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 97.01% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.83% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.28% | 94.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.38% | 99.15% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 93.55% | 97.36% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.50% | 86.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 92.46% | 94.73% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.93% | 86.92% |
CHEMBL3194 | P02766 | Transthyretin | 87.63% | 90.71% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.34% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.64% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.52% | 97.09% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.47% | 96.21% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.02% | 90.71% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.71% | 95.78% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.06% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.58% | 96.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.00% | 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.
Hyparrhenia hirta |
PubChem | 162900600 |
LOTUS | LTS0062052 |
wikiData | Q105253125 |