5,7-dihydroxy-2-[3-methoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Internal ID | c8b21db2-d0a4-429e-b13d-dea15fc699fa |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 5,7-dihydroxy-2-[3-methoxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)OC6C(C(C(C(O6)C)O)O)O)OC)O)O)O)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)OC)O)O)O)O)O)O |
InChI | InChI=1S/C34H42O20/c1-10-20(37)24(41)27(44)32(49-10)48-9-18-22(39)26(43)29(46)34(53-18)54-31-23(40)19-14(36)7-13(35)8-17(19)51-30(31)12-4-5-15(16(6-12)47-3)52-33-28(45)25(42)21(38)11(2)50-33/h4-8,10-11,18,20-22,24-29,32-39,41-46H,9H2,1-3H3/t10-,11-,18+,20-,21-,22+,24+,25+,26-,27+,28+,29+,32-,33-,34-/m0/s1 |
InChI Key | YJJATMIYFDTODI-RVZOPCRPSA-N |
Popularity | 0 references in papers |
Molecular Formula | C34H42O20 |
Molecular Weight | 770.70 g/mol |
Exact Mass | 770.22694372 g/mol |
Topological Polar Surface Area (TPSA) | 313.00 Ų |
XlogP | -2.30 |
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 |
---|---|---|---|---|
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.63% | 89.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.51% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.96% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 96.94% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.59% | 86.33% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.37% | 96.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 92.54% | 91.49% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.62% | 99.17% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.09% | 86.92% |
CHEMBL3401 | O75469 | Pregnane X receptor | 88.98% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.98% | 95.56% |
CHEMBL3194 | P02766 | Transthyretin | 87.92% | 90.71% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.20% | 95.78% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.33% | 85.14% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.00% | 97.36% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.88% | 94.75% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.01% | 96.00% |
CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 82.72% | 94.03% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.27% | 99.15% |
CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 82.15% | 95.53% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.86% | 92.94% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.33% | 95.64% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.04% | 90.00% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.92% | 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.
Cucurbita pepo |
PubChem | 162953188 |
LOTUS | LTS0158199 |
wikiData | Q105349298 |