3-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | be0ec391-c53e-4b67-b085-2aa016f68d40 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 3-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(CO6)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(CO6)O)O)O)O)O |
InChI | InChI=1S/C37H46O19/c1-13(2)4-9-17-20(52-36-30(49)27(46)25(44)21(11-38)53-36)10-18(40)22-26(45)33(31(54-32(17)22)15-5-7-16(39)8-6-15)55-37-34(28(47)23(42)14(3)51-37)56-35-29(48)24(43)19(41)12-50-35/h4-8,10,14,19,21,23-25,27-30,34-44,46-49H,9,11-12H2,1-3H3 |
InChI Key | XDBZJWHRPCMWOO-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C37H46O19 |
Molecular Weight | 794.70 g/mol |
Exact Mass | 794.26332923 g/mol |
Topological Polar Surface Area (TPSA) | 304.00 Ų |
XlogP | -0.20 |
There are no found synonyms. |
![2D Structure of 3-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 2D Structure of 3-[4,5-Dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/c4a85d20-85b0-11ee-8075-b757c4ffd1e0.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 | 99.86% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 98.20% | 91.49% |
CHEMBL2581 | P07339 | Cathepsin D | 97.92% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.61% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.14% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.09% | 86.33% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.65% | 94.73% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.14% | 94.45% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.52% | 94.75% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.05% | 99.17% |
CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.38% | 93.10% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.07% | 95.56% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 87.25% | 95.83% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.82% | 97.09% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.59% | 95.64% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.93% | 95.78% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.41% | 85.14% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.23% | 99.15% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.59% | 100.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.14% | 92.94% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.80% | 96.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.46% | 86.92% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.98% | 95.89% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.10% | 91.71% |
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.
Epimedium diphyllum |
Vancouveria hexandra |
PubChem | 10350361 |
LOTUS | LTS0122162 |
wikiData | Q105325624 |