[(2R,3R,4S,5R,6R)-4,5-bis[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Internal ID | 9e19ef6b-58b5-45db-b01f-8a87400b0abd |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
IUPAC Name | [(2R,3R,4S,5R,6R)-4,5-bis[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
SMILES (Canonical) | C1C(C(C(O1)OC2C(C(OC(C2OC3C(C(CO3)(CO)O)O)OCCC4=CC(=C(C=C4)O)O)CO)OC(=O)C=CC5=CC(=C(C=C5)O)O)O)(CO)O |
SMILES (Isomeric) | C1[C@@]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O[C@H]3[C@@H]([C@](CO3)(CO)O)O)OCCC4=CC(=C(C=C4)O)O)CO)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)O)(CO)O |
InChI | InChI=1S/C33H42O19/c34-11-22-24(50-23(41)6-3-16-1-4-18(37)20(39)9-16)25(51-30-27(42)32(44,12-35)14-47-30)26(52-31-28(43)33(45,13-36)15-48-31)29(49-22)46-8-7-17-2-5-19(38)21(40)10-17/h1-6,9-10,22,24-31,34-40,42-45H,7-8,11-15H2/b6-3+/t22-,24-,25+,26-,27+,28+,29-,30+,31+,32-,33-/m1/s1 |
InChI Key | GOOONRUWDVUFHP-PWTWLJIESA-N |
Popularity | 1 reference in papers |
Molecular Formula | C33H42O19 |
Molecular Weight | 742.70 g/mol |
Exact Mass | 742.23202911 g/mol |
Topological Polar Surface Area (TPSA) | 304.00 Ų |
XlogP | -1.90 |
There are no found synonyms. |
![2D Structure of [(2R,3R,4S,5R,6R)-4,5-bis[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 2D Structure of [(2R,3R,4S,5R,6R)-4,5-bis[[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy]-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/c41ce840-85c5-11ee-b1ff-5f63e88f0d3f.jpg)
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% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.19% | 94.45% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 96.18% | 95.93% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.19% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.42% | 89.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 94.12% | 86.92% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.17% | 97.09% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.59% | 96.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.20% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.30% | 95.56% |
CHEMBL3194 | P02766 | Transthyretin | 88.10% | 90.71% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 87.62% | 91.49% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.86% | 96.95% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.24% | 94.62% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.31% | 99.17% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.22% | 91.19% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.01% | 97.28% |
CHEMBL3401 | O75469 | Pregnane X receptor | 84.42% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 83.79% | 90.00% |
CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.23% | 96.37% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.86% | 80.78% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.32% | 95.89% |
CHEMBL2581 | P07339 | Cathepsin D | 82.25% | 98.95% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.24% | 92.94% |
CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.66% | 92.32% |
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.
Lantana fucata |
PubChem | 102482976 |
LOTUS | LTS0093973 |
wikiData | Q105014330 |