Seguinoside F
| Internal ID | 01c7f5fa-380c-4e2f-8697-f2989f6d6910 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxy-3,5-dimethoxybenzoate |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C(=O)OCC2(COC(C2O)OC3C(C(C(OC3OC4=CC=C(C=C4)O)CO)O)O)O |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)C(=O)OC[C@]2(CO[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3OC4=CC=C(C=C4)O)CO)O)O)O |
| InChI | InChI=1S/C26H32O15/c1-35-15-7-12(8-16(36-2)18(15)29)23(33)37-10-26(34)11-38-25(22(26)32)41-21-20(31)19(30)17(9-27)40-24(21)39-14-5-3-13(28)4-6-14/h3-8,17,19-22,24-25,27-32,34H,9-11H2,1-2H3/t17-,19-,20+,21-,22+,24-,25+,26-/m1/s1 |
| InChI Key | HZFQJXUVAZJXLJ-BBJWLDLUSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C26H32O15 |
| Molecular Weight | 584.50 g/mol |
| Exact Mass | 584.17412031 g/mol |
| Topological Polar Surface Area (TPSA) | 223.00 Ų |
| XlogP | -0.50 |
| AKOS040735310 |
| NCGC00385181-01 |
| 220778-37-0 |
| 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 | 99.34% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.23% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.29% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.48% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.22% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.08% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.74% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.59% | 95.93% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.06% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.66% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.45% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.47% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.69% | 92.94% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.48% | 91.07% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.41% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.13% | 95.56% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 85.83% | 97.53% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.85% | 85.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.07% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.97% | 90.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.95% | 94.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.68% | 92.50% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.65% | 97.36% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.32% | 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.
| Glycosmis pentaphylla |
| Myrsine seguinii |
| PubChem | 45360160 |
| LOTUS | LTS0103317 |
| wikiData | Q105035650 |