(2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-2-[[(2R,3S,4S,5R,6R)-6-hexadecoxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
| Internal ID | b0656ac6-18ba-49c5-aa7f-668660f2a279 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-2-[[(2R,3S,4S,5R,6R)-6-hexadecoxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C45H82O23/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-59-41-35(56)33(54)30(51)26(65-41)21-61-43-37(58)38(28(49)23(3)62-43)66-45-40(68-44-36(57)32(53)27(48)22(2)63-44)39(31(52)25(19-46)64-45)67-42-34(55)29(50)24(47)20-60-42/h22-58H,4-21H2,1-3H3/t22-,23-,24-,25+,26+,27-,28-,29-,30+,31+,32+,33-,34+,35+,36+,37+,38+,39-,40+,41+,42-,43+,44-,45-/m0/s1 |
| InChI Key | OWZPTHQHOOCVNW-LUXGBHDXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C45H82O23 |
| Molecular Weight | 991.10 g/mol |
| Exact Mass | 990.52468886 g/mol |
| Topological Polar Surface Area (TPSA) | 355.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-2-[[(2R,3S,4S,5R,6R)-6-hexadecoxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/79fb4af0-853f-11ee-9158-c90209bf1177.jpg "2D Structure of (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-2-[[(2R,3S,4S,5R,6R)-6-hexadecoxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-methyloxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol")
| 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 | 96.88% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.82% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.50% | 97.25% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 93.50% | 80.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.01% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.95% | 99.17% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.25% | 97.29% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.11% | 91.49% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 89.52% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.06% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.85% | 92.08% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 88.59% | 97.36% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.06% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.53% | 92.86% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 86.91% | 90.24% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 86.31% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.29% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.87% | 100.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 85.65% | 91.81% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 85.40% | 96.61% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.01% | 91.24% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.25% | 95.83% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.73% | 92.88% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 82.06% | 87.45% |
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.
| Dimocarpus fumatus |
| PubChem | 10510192 |
| LOTUS | LTS0052644 |
| wikiData | Q105202433 |