[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[3-(6-methoxy-1,3-benzodioxol-5-yl)-2H-chromen-7-yl]oxy]oxan-2-yl]methyl acetate
| Internal ID | ccacf16d-d96a-4b06-ab6a-aaed08f56fc8 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[3-(6-methoxy-1,3-benzodioxol-5-yl)-2H-chromen-7-yl]oxy]oxan-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H26O11/c1-12(26)31-10-21-22(27)23(28)24(29)25(36-21)35-15-4-3-13-5-14(9-32-17(13)6-15)16-7-19-20(34-11-33-19)8-18(16)30-2/h3-8,21-25,27-29H,9-11H2,1-2H3/t21-,22-,23+,24-,25-/m1/s1 |
| InChI Key | FFIZWGZANYMQEF-NHTNDUFYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H26O11 |
| Molecular Weight | 502.50 g/mol |
| Exact Mass | 502.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 142.00 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[3-(6-methoxy-1,3-benzodioxol-5-yl)-2H-chromen-7-yl]oxy]oxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2415f2b0-85e7-11ee-bd1d-e165f4157117.jpg "2D Structure of [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[3-(6-methoxy-1,3-benzodioxol-5-yl)-2H-chromen-7-yl]oxy]oxan-2-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 | 98.75% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.35% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.62% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.49% | 94.80% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.32% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.16% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.15% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.13% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.78% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.30% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.15% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.55% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.72% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.23% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.15% | 95.89% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.78% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.20% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.82% | 97.21% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.97% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.48% | 94.45% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 84.96% | 97.36% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.62% | 89.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.31% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.20% | 95.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.88% | 94.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.72% | 98.75% |
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.
| Cicer judaicum |
| PubChem | 162865487 |
| LOTUS | LTS0078679 |
| wikiData | Q104994471 |