[(2R,3S,4S,5R,6S)-6-[4-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Internal ID | a241c5a3-b990-471b-9f7a-f1f3d297230d |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
IUPAC Name | [(2R,3S,4S,5R,6S)-6-[4-[3-(3,4-dihydroxyphenyl)propanoyl]-3,5-dihydroxyphenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate |
SMILES (Canonical) | C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2O)OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O)O |
SMILES (Isomeric) | C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC(=C(C(=C4)O)O)O)O)O)O)O)O)O |
InChI | InChI=1S/C28H28O15/c29-14-3-1-11(5-16(14)31)2-4-15(30)22-17(32)8-13(9-18(22)33)42-28-26(39)25(38)24(37)21(43-28)10-41-27(40)12-6-19(34)23(36)20(35)7-12/h1,3,5-9,21,24-26,28-29,31-39H,2,4,10H2/t21-,24-,25+,26-,28-/m1/s1 |
InChI Key | HELQISLFMHRLML-ZKPBLSLZSA-N |
Popularity | 0 references in papers |
Molecular Formula | C28H28O15 |
Molecular Weight | 604.50 g/mol |
Exact Mass | 604.14282018 g/mol |
Topological Polar Surface Area (TPSA) | 264.00 Ų |
XlogP | 1.10 |
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 | 99.32% | 91.11% |
CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.00% | 95.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.93% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.52% | 99.17% |
CHEMBL3194 | P02766 | Transthyretin | 92.78% | 90.71% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 92.15% | 91.49% |
CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 92.09% | 85.31% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.18% | 94.73% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.18% | 86.33% |
CHEMBL4208 | P20618 | Proteasome component C5 | 89.72% | 90.00% |
CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 89.55% | 94.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.10% | 94.00% |
CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.92% | 83.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.13% | 99.15% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.16% | 94.45% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.01% | 95.50% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.73% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.57% | 95.89% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.91% | 97.21% |
CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.42% | 85.00% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.26% | 96.37% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.24% | 90.71% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.84% | 96.95% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 82.01% | 95.93% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.39% | 95.64% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.28% | 89.00% |
CHEMBL2581 | P07339 | Cathepsin D | 81.27% | 98.95% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.25% | 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.
Balanophora harlandii |
Balanophora tobiracola |
PubChem | 21580528 |
LOTUS | LTS0210552 |
wikiData | Q105026894 |