3-[4,5-dihydroxy-6-methyl-3-[(2S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | a5db2e24-1b0a-4335-a59c-09d885e9b403 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 3-[4,5-dihydroxy-6-methyl-3-[(2S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-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)OC2C(C(C(OC2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C([C@@H](O1)OC2C(C(C(OC2OC3=C(OC4=C(C3=O)C(=CC(=C4CC=C(C)C)OC5C(C(C(C(O5)CO)O)O)O)O)C6=CC=C(C=C6)OC)C)O)O)O)O)O |
InChI | InChI=1S/C39H50O19/c1-14(2)6-11-19-21(54-38-32(50)29(47)26(44)22(13-40)55-38)12-20(41)23-27(45)35(33(56-34(19)23)17-7-9-18(51-5)10-8-17)57-39-36(30(48)25(43)16(4)53-39)58-37-31(49)28(46)24(42)15(3)52-37/h6-10,12,15-16,22,24-26,28-32,36-44,46-50H,11,13H2,1-5H3/t15?,16?,22?,24?,25?,26?,28?,29?,30?,31?,32?,36?,37-,38?,39?/m0/s1 |
InChI Key | ULZLIYVOYYQJRO-WWLNTHMISA-N |
Popularity | 0 references in papers |
Molecular Formula | C39H50O19 |
Molecular Weight | 822.80 g/mol |
Exact Mass | 822.29462936 g/mol |
Topological Polar Surface Area (TPSA) | 293.00 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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.87% | 91.11% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.95% | 94.00% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.41% | 91.49% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.29% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 95.09% | 98.95% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.14% | 86.33% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.98% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 93.59% | 94.73% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.64% | 85.14% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.46% | 95.56% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.25% | 99.15% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.02% | 96.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 89.43% | 86.92% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.55% | 94.45% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.19% | 97.36% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.04% | 90.00% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.81% | 92.94% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.33% | 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.
Epimedium diphyllum |
Epimedium grandiflorum |
Epimedium hunanense |
Epimedium sagittatum |
Epimedium sutchuenense |
Epimedium wushanense |
PubChem | 137705275 |
LOTUS | LTS0142736 |
wikiData | Q104393861 |