(2S,3R,4R,5R,6S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
| Internal ID | b4d69710-2dcf-4884-ad22-cb6e93a3743f |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | (2S,3R,4R,5R,6S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H42O17/c1-6-11(26)16(31)19(34)22(36-6)40-21-18(33)13(28)8(3)38-24(21)41-20-17(32)12(27)7(2)37-23(20)35-5-10-15(30)14(29)9(4-25)39-10/h6-34H,4-5H2,1-3H3/t6-,7-,8-,9+,10+,11-,12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22-,23+,24-/m0/s1 |
| InChI Key | AVOYIDZTMJOOTC-GXDGHCPESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H42O17 |
| Molecular Weight | 602.60 g/mol |
| Exact Mass | 602.24219987 g/mol |
| Topological Polar Surface Area (TPSA) | 267.00 Ų |
| XlogP | -5.40 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4R,5R,6S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/94d6e480-8701-11ee-b9c6-7dab8d18881e.jpg "2D Structure of (2S,3R,4R,5R,6S)-2-[(2S,3R,4R,5R,6S)-2-[(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 95.47% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.84% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.37% | 91.11% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 89.02% | 97.36% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 86.64% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.43% | 94.73% |
| CHEMBL3589 | P55263 | Adenosine kinase | 83.06% | 98.05% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.18% | 97.25% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.97% | 96.61% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.96% | 86.33% |
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.
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| There are no matching plants. |
| PubChem | 162948649 |
| LOTUS | LTS0241105 |
| wikiData | Q104919689 |