2-(3,4-dihydroxyphenyl)-5-hydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Internal ID | d6c44eca-c412-4306-8f53-8146c2a75ef7 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O |
InChI | InChI=1S/C27H30O15/c1-8-19(32)22(35)25(38)27(39-8)42-15-6-14-17(12(31)5-13(40-14)9-2-3-10(29)11(30)4-9)21(34)18(15)26-24(37)23(36)20(33)16(7-28)41-26/h2-6,8,16,19-20,22-30,32-38H,7H2,1H3/t8-,16+,19-,20+,22+,23-,24+,25-,26-,27-/m0/s1 |
InChI Key | BWFNSKPHIOFUMZ-HVOUTDHYSA-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) | 256.00 Ų |
XlogP | -1.50 |
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 | 99.77% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 98.85% | 98.95% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.54% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.37% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.79% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.00% | 86.33% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.63% | 99.15% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 91.55% | 96.21% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 91.07% | 97.36% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.84% | 94.73% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.86% | 86.92% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.29% | 95.56% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.80% | 85.14% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.40% | 96.09% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.35% | 90.71% |
CHEMBL220 | P22303 | Acetylcholinesterase | 83.68% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.65% | 97.09% |
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 | 162834053 |
LOTUS | LTS0254583 |
wikiData | Q104947203 |