3-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Internal ID | 23356168-4ab0-4263-a4a3-29a935f785a0 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
IUPAC Name | 3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-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)OC2=C(OC3=C(C2=O)C=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)OC)O)O)OC6C(C(C(CO6)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)C5=CC=C(C=C5)OC)O)O)OC6C(C(C(CO6)O)O)O |
InChI | InChI=1S/C38H48O18/c1-15(2)5-10-19-22(52-38-30(47)27(44)26(43)23(13-39)53-38)12-11-20-24(41)35(33(54-34(19)20)17-6-8-18(49-4)9-7-17)56-37-31(48)28(45)32(16(3)51-37)55-36-29(46)25(42)21(40)14-50-36/h5-9,11-12,16,21,23,25-32,36-40,42-48H,10,13-14H2,1-4H3 |
InChI Key | BCLUQFHYEIILIK-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C38H48O18 |
Molecular Weight | 792.80 g/mol |
Exact Mass | 792.28406468 g/mol |
Topological Polar Surface Area (TPSA) | 273.00 Ų |
XlogP | -0.10 |
There are no found synonyms. |
![2D Structure of 3-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 2D Structure of 3-[3,4-Dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/07237400-8719-11ee-8c18-bf80a064cac2.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 | 99.65% | 91.11% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 97.10% | 91.49% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.08% | 85.14% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.62% | 94.00% |
CHEMBL2581 | P07339 | Cathepsin D | 94.35% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.44% | 89.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.82% | 95.56% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.08% | 96.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.76% | 86.33% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.59% | 86.92% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.80% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.19% | 97.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.99% | 99.17% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.61% | 97.36% |
CHEMBL3401 | O75469 | Pregnane X receptor | 86.33% | 94.73% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.25% | 95.89% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.46% | 96.09% |
CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 84.25% | 83.57% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.91% | 95.50% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.67% | 92.94% |
CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.63% | 95.83% |
CHEMBL4208 | P20618 | Proteasome component C5 | 82.22% | 90.00% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.02% | 99.23% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.92% | 92.62% |
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 wushanense |
PubChem | 163033053 |
LOTUS | LTS0236344 |
wikiData | Q104923483 |