[(1S,2R,7S,10S,11S,14R,15R,16R,19S)-7-[(2R,4R,5S)-4-hydroxy-5-[(2S,4R,5R)-5-[(2S,4R,5R)-5-[(2S,4R,5R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-14,16-dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-10-yl]methyl acetate
| Internal ID | 56cf2616-7972-446a-b70c-fc2f473907a8 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | [(1S,2R,7S,10S,11S,14R,15R,16R,19S)-7-[(2R,4R,5S)-4-hydroxy-5-[(2S,4R,5R)-5-[(2S,4R,5R)-5-[(2S,4R,5R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-14,16-dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-10-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C56H88O24/c1-24-45(33(59)18-38(69-24)73-30-13-16-55(23-67-28(5)58)29(17-30)11-12-32-31(55)14-15-53(6)50-37-22-68-54(50,7)80-56(32,53)79-37)75-39-19-34(64-8)46(25(2)70-39)76-40-20-35(65-9)47(26(3)71-40)77-52-44(63)49(66-10)48(27(4)72-52)78-51-43(62)42(61)41(60)36(21-57)74-51/h11,24-27,30-52,57,59-63H,12-23H2,1-10H3/t24?,25?,26?,27?,30-,31-,32+,33+,34+,35+,36?,37+,38-,39-,40-,41+,42-,43?,44?,45+,46+,47+,48+,49+,50-,51-,52-,53+,54+,55+,56-/m0/s1 |
| InChI Key | NUHQNAFCQWNZHH-KKUBQSGSSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C56H88O24 |
| Molecular Weight | 1145.30 g/mol |
| Exact Mass | 1144.56655367 g/mol |
| Topological Polar Surface Area (TPSA) | 295.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,7S,10S,11S,14R,15R,16R,19S)-7-[(2R,4R,5S)-4-hydroxy-5-[(2S,4R,5R)-5-[(2S,4R,5R)-5-[(2S,4R,5R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-14,16-dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-10-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/a3db96d0-8545-11ee-82ee-4b985718e0b7.jpg "2D Structure of [(1S,2R,7S,10S,11S,14R,15R,16R,19S)-7-[(2R,4R,5S)-4-hydroxy-5-[(2S,4R,5R)-5-[(2S,4R,5R)-5-[(2S,4R,5R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-14,16-dimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-10-yl]methyl acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.40% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.06% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.57% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.06% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.43% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.91% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.78% | 95.89% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 92.58% | 95.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.58% | 86.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 91.65% | 91.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.30% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.39% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.27% | 92.94% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.89% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.93% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 83.78% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.72% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.12% | 97.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.54% | 95.93% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.56% | 97.36% |
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 | 163077988 |
| LOTUS | LTS0047605 |
| wikiData | Q105185882 |