(2S)-5-hydroxy-6-[(2S)-5-hydroxy-2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-2-methyl-4-oxo-3H-chromen-6-yl]-2,7-dimethyl-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]-3H-chromen-4-one
| Internal ID | b15fe94b-90a1-4a3c-9630-2189707968df |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones |
| IUPAC Name | (2S)-5-hydroxy-6-[(2S)-5-hydroxy-2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-2-methyl-4-oxo-3H-chromen-6-yl]-2,7-dimethyl-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]-3H-chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H30O11/c1-12-7-19-24(17(33)10-29(3,41-19)27-13(2)8-20(34)38-27)26(37)22(12)14-5-6-18-23(25(14)36)16(32)11-30(4,40-18)28-15(31)9-21(35)39-28/h5-7,13,15,27-28,31,36-37H,8-11H2,1-4H3/t13-,15-,27-,28-,29+,30+/m1/s1 |
| InChI Key | XPCAPFZNSNDTQW-GQNMHRLUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H30O11 |
| Molecular Weight | 566.60 g/mol |
| Exact Mass | 566.17881177 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of (2S)-5-hydroxy-6-[(2S)-5-hydroxy-2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-2-methyl-4-oxo-3H-chromen-6-yl]-2,7-dimethyl-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]-3H-chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/1b69d470-8479-11ee-ada1-0ffbe87b0a78.jpg "2D Structure of (2S)-5-hydroxy-6-[(2S)-5-hydroxy-2-[(2R,3R)-3-hydroxy-5-oxooxolan-2-yl]-2-methyl-4-oxo-3H-chromen-6-yl]-2,7-dimethyl-2-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]-3H-chromen-4-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.14% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.32% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.03% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.26% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 93.01% | 93.04% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.22% | 93.40% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.31% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.40% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.78% | 91.49% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.85% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.55% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.47% | 95.89% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.17% | 90.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.88% | 90.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.45% | 96.09% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.34% | 82.38% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.23% | 99.15% |
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 | 163067651 |
| LOTUS | LTS0223359 |
| wikiData | Q105338143 |