Rha(a1-3)[Glc(b1-6)][coumaroyl(3-OH)(-4)]Glc(b)-O-EtPh
| Internal ID | 9941a944-7346-441a-9f7a-a670f5305171 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [(2R,3R,4R,5R,6R)-5-hydroxy-6-(2-phenylethoxy)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)COC4C(C(C(C(O4)CO)O)O)O)OCCC5=CC=CC=C5)O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OCCC5=CC=CC=C5)O)O)O)O |
| InChI | InChI=1S/C35H46O18/c1-16-24(40)26(42)29(45)35(49-16)53-32-30(46)34(47-12-11-17-5-3-2-4-6-17)51-22(15-48-33-28(44)27(43)25(41)21(14-36)50-33)31(32)52-23(39)10-8-18-7-9-19(37)20(38)13-18/h2-10,13,16,21-22,24-38,40-46H,11-12,14-15H2,1H3/b10-8+/t16-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1 |
| InChI Key | LXLTWMNTGBZOLH-GGPLKTKBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C35H46O18 |
| Molecular Weight | 754.70 g/mol |
| Exact Mass | 754.26841461 g/mol |
| Topological Polar Surface Area (TPSA) | 284.00 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of Rha(a1-3)[Glc(b1-6)][coumaroyl(3-OH)(-4)]Glc(b)-O-EtPh](https://plantaedb.com/storage/docs/compounds/2023/11/rhaa1-3glcb1-6coumaroyl3-oh-4glcb-o-etph.jpg "2D Structure of Rha(a1-3)[Glc(b1-6)][coumaroyl(3-OH)(-4)]Glc(b)-O-EtPh")
| 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 | 99.78% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.78% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.68% | 94.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.30% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.79% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.36% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.29% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.54% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.48% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.45% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.35% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.86% | 91.71% |
| CHEMBL3194 | P02766 | Transthyretin | 83.22% | 90.71% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.81% | 80.78% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.44% | 86.92% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.72% | 97.36% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.64% | 95.50% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 101886725 |
| LOTUS | LTS0196850 |
| wikiData | Q105203448 |