(2S,4aR,6aR,7R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-6a,10b-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,7,10,10a-hexahydro-1H-benzo[f]isochromen-4-one
| Internal ID | 293a11c1-3bd2-4492-99c5-4f7afd5cd22c |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones > Naphthopyranone glycosides |
| IUPAC Name | (2S,4aR,6aR,7R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-6a,10b-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,7,10,10a-hexahydro-1H-benzo[f]isochromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H34O10/c1-23-7-8-25(31)22(30)34-14(13-6-9-32-12-13)10-24(25,2)16(23)4-3-5-17(23)35-21-20(29)19(28)18(27)15(11-26)33-21/h3,5-6,9,12,14-21,26-29,31H,4,7-8,10-11H2,1-2H3/t14-,15+,16+,17+,18+,19-,20+,21-,23+,24-,25-/m0/s1 |
| InChI Key | AXCMEMYIQNOYFK-KPHKJUGVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H34O10 |
| Molecular Weight | 494.50 g/mol |
| Exact Mass | 494.21519728 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of (2S,4aR,6aR,7R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-6a,10b-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,7,10,10a-hexahydro-1H-benzo[f]isochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/dafc01c0-87d9-11ee-9aa3-5b9abb664c45.jpg "2D Structure of (2S,4aR,6aR,7R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-6a,10b-dimethyl-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,7,10,10a-hexahydro-1H-benzo[f]isochromen-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 | 98.46% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.82% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.05% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.92% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.95% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.14% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.82% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.46% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.65% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.13% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.58% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.46% | 90.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.46% | 94.75% |
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.
| Tinospora cordifolia |
| PubChem | 163016882 |
| LOTUS | LTS0085163 |
| wikiData | Q104920439 |