Leonoside B
Internal ID | 1bb11955-51c0-4a16-9181-3c3ae1fe33a4 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
IUPAC Name | [4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)OC5C(C(C(CO5)O)O)O)O)O |
SMILES (Isomeric) | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)/C=C/C3=CC(=C(C=C3)O)OC)CO)OCCC4=CC(=C(C=C4)OC)O)O)OC5C(C(C(CO5)O)O)O)O)O |
InChI | InChI=1S/C36H48O19/c1-16-26(42)28(44)33(55-34-29(45)27(43)21(40)15-50-34)36(51-16)54-32-30(46)35(49-11-10-18-5-8-22(47-2)20(39)12-18)52-24(14-37)31(32)53-25(41)9-6-17-4-7-19(38)23(13-17)48-3/h4-9,12-13,16,21,24,26-40,42-46H,10-11,14-15H2,1-3H3/b9-6+ |
InChI Key | ZIPURHYPGUGDEP-RMKNXTFCSA-N |
Popularity | 1 reference in papers |
Molecular Formula | C36H48O19 |
Molecular Weight | 784.80 g/mol |
Exact Mass | 784.27897930 g/mol |
Topological Polar Surface Area (TPSA) | 282.00 Ų |
XlogP | -1.40 |
[4-[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
140147-67-7 |
135010-56-9 |
CHEBI:169177 |
beta-(3-Hydroxy, 4-methoxyphenyl)-ethyl-O-alpha-L-arabinopyranosyl-(1-2)-alpha-L-rhamnopyranosyl-(1-3)-4-O-feruloyl-beta-D-glycopyranoside |
4-((4,5-dihydroxy-6-methyl-3-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5-hydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate |
beta-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl O-alpha-L-arabinopyranosyl-(1-2)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-, 4-(3-(4-hydroxy-3-methoxyphenyl)-2-propenoate) |
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 | 99.68% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.61% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.12% | 86.33% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.58% | 96.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.25% | 89.00% |
CHEMBL3194 | P02766 | Transthyretin | 93.55% | 90.71% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 93.51% | 86.92% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 92.79% | 91.49% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.73% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 89.20% | 98.95% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.19% | 97.36% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.95% | 95.56% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.38% | 97.09% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.34% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.17% | 90.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.09% | 94.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.02% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.92% | 95.89% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.47% | 95.89% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.83% | 92.94% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.66% | 95.50% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.50% | 92.62% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.54% | 91.19% |
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.
Ajuga salicifolia |
Leonurus glaucescens |
Stachys byzantina |
PubChem | 6444021 |
LOTUS | LTS0110053 |
wikiData | Q105377403 |