[6-[3,5-Dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Internal ID | 9315de36-cbe8-4dc1-9ac6-c1a98998558f |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | [6-[3,5-dihydroxy-2-(4-hydroxybenzoyl)phenoxy]-3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
SMILES (Canonical) | C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)O |
InChI | InChI=1S/C33H28O18/c34-15-3-1-12(2-4-15)25(41)24-17(36)9-16(35)10-22(24)49-33-30(51-32(47)14-7-20(39)27(43)21(40)8-14)29(45)28(44)23(50-33)11-48-31(46)13-5-18(37)26(42)19(38)6-13/h1-10,23,28-30,33-40,42-45H,11H2 |
InChI Key | RPRWXKLUGGAFSX-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C33H28O18 |
Molecular Weight | 712.60 g/mol |
Exact Mass | 712.12756404 g/mol |
Topological Polar Surface Area (TPSA) | 311.00 Ų |
XlogP | 2.40 |
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 |
---|---|---|---|---|
CHEMBL3194 | P02766 | Transthyretin | 98.42% | 90.71% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.94% | 91.11% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 97.09% | 95.64% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.82% | 96.09% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 93.47% | 91.49% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.40% | 99.17% |
CHEMBL4208 | P20618 | Proteasome component C5 | 92.60% | 90.00% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 92.41% | 83.00% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.33% | 95.17% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.63% | 86.33% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 90.99% | 95.93% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.88% | 94.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.88% | 89.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.99% | 94.73% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.67% | 85.00% |
CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.29% | 92.50% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.44% | 96.95% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 83.35% | 97.79% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.15% | 95.89% |
CHEMBL3891 | P07384 | Calpain 1 | 82.42% | 93.04% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.81% | 95.89% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.24% | 95.78% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.71% | 96.00% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.32% | 97.21% |
CHEMBL2581 | P07339 | Cathepsin D | 80.17% | 98.95% |
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.
Baccharis coridifolia |
Planchonella obovata |
PubChem | 75169192 |
LOTUS | LTS0044119 |
wikiData | Q105129299 |