Leonuriside A
Internal ID | 39afa299-1377-41ca-a2ff-a0aaa64ab98c |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | 2-(4-hydroxy-2,6-dimethoxyphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol |
SMILES (Canonical) | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)O |
SMILES (Isomeric) | COC1=CC(=CC(=C1OC2C(C(C(C(O2)CO)O)O)O)OC)O |
InChI | InChI=1S/C14H20O9/c1-20-7-3-6(16)4-8(21-2)13(7)23-14-12(19)11(18)10(17)9(5-15)22-14/h3-4,9-12,14-19H,5H2,1-2H3 |
InChI Key | NOQYJICHFNSIFZ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C14H20O9 |
Molecular Weight | 332.30 g/mol |
Exact Mass | 332.11073221 g/mol |
Topological Polar Surface Area (TPSA) | 138.00 Ų |
XlogP | -0.90 |
CHEBI:169679 |
4-Hydroxy-2,6-dimethoxyphenyl glucoside |
2,6-Dimethoxy-p-hydroquinone 1-O-beta-glucopyranoside |
2-(4-HYDROXY-2,6-DIMETHOXYPHENOXY)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL |
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 | 97.66% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.17% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.01% | 99.17% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.97% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.22% | 86.33% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.96% | 95.89% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.07% | 94.73% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.81% | 96.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.53% | 85.14% |
CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.94% | 89.62% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.12% | 89.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 81.03% | 90.00% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.05% | 95.56% |
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.
Capparis flavicans |
Elsholtzia bodinieri |
Embelia ribes |
Eupatorium chinense |
Laguncularia racemosa |
Potalia amara |
Prunus ssiori |
Swertia japonica |
PubChem | 14237625 |
LOTUS | LTS0192524 |
wikiData | Q105182715 |