(2S,4S,5R)-4-methoxy-2-[(3R,4R,6S)-4-methoxy-6-[(3R,4R,6S)-4-methoxy-6-[(3R,4R,6R)-4-methoxy-2-methyl-6-[[(1S,2R,7S,10R,11S,14R,15R,16R,19S)-10,14,16-trimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,5-diol
| Internal ID | 90e9ba5d-ae08-48ab-9bbe-8a291fd34644 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | (2S,4S,5R)-4-methoxy-2-[(3R,4R,6S)-4-methoxy-6-[(3R,4R,6S)-4-methoxy-6-[(3R,4R,6R)-4-methoxy-2-methyl-6-[[(1S,2R,7S,10R,11S,14R,15R,16R,19S)-10,14,16-trimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,5-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C49H78O17/c1-23-38(50)43(55-11)39(51)45(60-23)64-42-26(4)59-37(21-33(42)54-10)63-41-25(3)58-36(20-32(41)53-9)62-40-24(2)57-35(19-31(40)52-8)61-28-14-16-46(5)27(18-28)12-13-30-29(46)15-17-47(6)44-34-22-56-48(44,7)66-49(30,47)65-34/h12,23-26,28-45,50-51H,13-22H2,1-11H3/t23?,24?,25?,26?,28-,29-,30+,31+,32+,33+,34+,35-,36-,37-,38+,39?,40+,41+,42+,43-,44-,45-,46-,47+,48+,49-/m0/s1 |
| InChI Key | SBYKFQMNFNKJPZ-CXTLOLCSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C49H78O17 |
| Molecular Weight | 939.10 g/mol |
| Exact Mass | 938.52390102 g/mol |
| Topological Polar Surface Area (TPSA) | 179.00 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (2S,4S,5R)-4-methoxy-2-[(3R,4R,6S)-4-methoxy-6-[(3R,4R,6S)-4-methoxy-6-[(3R,4R,6R)-4-methoxy-2-methyl-6-[[(1S,2R,7S,10R,11S,14R,15R,16R,19S)-10,14,16-trimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,5-diol](https://plantaedb.com/storage/docs/compounds/2023/11/331ea060-861f-11ee-a749-cf0cba47d119.jpg "2D Structure of (2S,4S,5R)-4-methoxy-2-[(3R,4R,6S)-4-methoxy-6-[(3R,4R,6S)-4-methoxy-6-[(3R,4R,6R)-4-methoxy-2-methyl-6-[[(1S,2R,7S,10R,11S,14R,15R,16R,19S)-10,14,16-trimethyl-17,20,21-trioxahexacyclo[14.4.1.01,14.02,11.05,10.015,19]henicos-4-en-7-yl]oxy]oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,5-diol")
| 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 | 98.22% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.18% | 91.11% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 95.46% | 95.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.91% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.57% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.50% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.42% | 95.89% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.12% | 97.25% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.09% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.75% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.13% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.77% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.95% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.77% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 85.07% | 95.93% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 85.07% | 98.99% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.09% | 97.14% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.68% | 91.03% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 83.53% | 97.33% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.20% | 94.08% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.30% | 96.43% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.13% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 162877967 |
| LOTUS | LTS0131732 |
| wikiData | Q105249788 |