[(3R,4S,7R,8R)-4,7-dihydroxy-7-[(1R)-1-hydroxyethyl]-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate
| Internal ID | 5385e180-8a5a-4112-9f85-4c7b09f4ee90 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > C-glycosyl compounds |
| IUPAC Name | [(3R,4S,7R,8R)-4,7-dihydroxy-7-[(1R)-1-hydroxyethyl]-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H32O10/c1-14-17(33-20(28)13-19(14)31-6)11-9-7-8-10-12-18-21(29)23(4)22(32-16(3)27)24(5,34-18)25(30,35-23)15(2)26/h7-13,15,18,21-22,26,29-30H,1-6H3/b8-7+,11-9+,12-10+/t15-,18-,21+,22-,23?,24?,25-/m1/s1 |
| InChI Key | OSLLNECGPXNXCT-DXULFDEVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H32O10 |
| Molecular Weight | 492.50 g/mol |
| Exact Mass | 492.19954721 g/mol |
| Topological Polar Surface Area (TPSA) | 141.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of [(3R,4S,7R,8R)-4,7-dihydroxy-7-[(1R)-1-hydroxyethyl]-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/407c6560-84b5-11ee-b36a-a91d49091881.jpg "2D Structure of [(3R,4S,7R,8R)-4,7-dihydroxy-7-[(1R)-1-hydroxyethyl]-3-[(1E,3E,5E)-6-(4-methoxy-3-methyl-6-oxopyran-2-yl)hexa-1,3,5-trienyl]-1,5-dimethyl-2,6-dioxabicyclo[3.2.1]octan-8-yl] 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.96% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.88% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.26% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.66% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.30% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.92% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.88% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.57% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.68% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.67% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.40% | 91.19% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.88% | 95.89% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.17% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.05% | 99.17% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 83.96% | 90.24% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.72% | 85.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.82% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.49% | 97.14% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.08% | 92.88% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.04% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.67% | 94.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.83% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.17% | 92.62% |
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 | 163189858 |
| LOTUS | LTS0075468 |
| wikiData | Q105199082 |