7,15-Dihydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icosan-14-one
| Internal ID | 1728b7a1-6880-452d-bd46-54ceb6627ba1 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Oligosaccharides |
| IUPAC Name | 7,15-dihydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icosan-14-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C49H80O18/c1-22-28-15-29(50)46(53)48(28,7)37-20-36-47(6)21-30(51)31(14-27(47)12-13-49(36,66-22)67-37)62-38-17-33(55-9)43(24(3)59-38)64-40-19-35(57-11)45(26(5)61-40)65-41-18-34(56-10)44(25(4)60-41)63-39-16-32(54-8)42(52)23(2)58-39/h22-45,50-52H,12-21H2,1-11H3 |
| InChI Key | NBRKBBSWSXZRIT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C49H80O18 |
| Molecular Weight | 957.10 g/mol |
| Exact Mass | 956.53446570 g/mol |
| Topological Polar Surface Area (TPSA) | 207.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 7,15-Dihydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icosan-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/360c6e50-8697-11ee-a523-fd77f586b2bd.jpg "2D Structure of 7,15-Dihydroxy-6-[5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13,18-trimethyl-19,20-dioxapentacyclo[10.7.1.01,10.04,9.013,17]icosan-14-one")
| 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 | 95.86% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.77% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.35% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.47% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.51% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.92% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 88.75% | 97.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.82% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.44% | 91.07% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.31% | 95.38% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.56% | 96.61% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.00% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.57% | 99.23% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 84.27% | 95.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.74% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.73% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.31% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.67% | 89.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.65% | 97.05% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.28% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.27% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.08% | 96.77% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.07% | 96.43% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.82% | 96.21% |
| CHEMBL204 | P00734 | Thrombin | 80.29% | 96.01% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.20% | 91.03% |
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.
| Asclepias tuberosa |
| PubChem | 163023792 |
| LOTUS | LTS0233929 |
| wikiData | Q105176957 |