[(2S,3S,5S)-2-[2,4-dihydroxy-3-(4-hydroxybenzoyl)-6-methoxyphenyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate
Internal ID | 6d67feb4-c371-47e3-89e4-6d0f127b4b79 |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
IUPAC Name | [(2S,3S,5S)-2-[2,4-dihydroxy-3-(4-hydroxybenzoyl)-6-methoxyphenyl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate |
SMILES (Canonical) | COC1=C(C(=C(C(=C1)O)C(=O)C2=CC=C(C=C2)O)O)C3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
SMILES (Isomeric) | COC1=C(C(=C(C(=C1)O)C(=O)C2=CC=C(C=C2)O)O)[C@H]3[C@H](C([C@@H](C(O3)CO)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
InChI | InChI=1S/C27H26O14/c1-39-16-8-13(30)18(20(33)10-2-4-12(29)5-3-10)23(36)19(16)25-26(24(37)22(35)17(9-28)40-25)41-27(38)11-6-14(31)21(34)15(32)7-11/h2-8,17,22,24-26,28-32,34-37H,9H2,1H3/t17?,22-,24?,25+,26+/m1/s1 |
InChI Key | WDUNUSJSSNMPGY-YLKNCYKBSA-N |
Popularity | 0 references in papers |
Molecular Formula | C27H26O14 |
Molecular Weight | 574.50 g/mol |
Exact Mass | 574.13225550 g/mol |
Topological Polar Surface Area (TPSA) | 244.00 Ų |
XlogP | 1.40 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.87% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.10% | 96.09% |
CHEMBL3194 | P02766 | Transthyretin | 94.84% | 90.71% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.64% | 99.17% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.97% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.93% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 91.16% | 98.95% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.10% | 90.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.97% | 96.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.48% | 89.00% |
CHEMBL1255126 | O15151 | Protein Mdm4 | 84.53% | 90.20% |
CHEMBL3401 | O75469 | Pregnane X receptor | 83.43% | 94.73% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.22% | 95.89% |
CHEMBL2996 | Q05655 | Protein kinase C delta | 83.17% | 97.79% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.23% | 95.56% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.09% | 95.89% |
CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.65% | 91.07% |
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.
Mangifera indica |
PubChem | 162983204 |
LOTUS | LTS0191116 |
wikiData | Q105302703 |