1-(furan-3-yl)-6-hydroxy-5,8a-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydro-1H-isochromen-3-one
| Internal ID | aa98eebf-1b06-47ec-b84a-e5b66b0e22a6 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acyl glycosides > Fatty acyl glycosides of mono- and disaccharides |
| IUPAC Name | 1-(furan-3-yl)-6-hydroxy-5,8a-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydro-1H-isochromen-3-one |
| SMILES (Canonical) | CC1C(CCC2(C1=C(C(=O)OC2C3=COC=C3)OC4C(C(C(C(O4)CO)O)O)O)C)O |
| SMILES (Isomeric) | CC1C(CCC2(C1=C(C(=O)OC2C3=COC=C3)OC4C(C(C(C(O4)CO)O)O)O)C)O |
| InChI | InChI=1S/C21H28O10/c1-9-11(23)3-5-21(2)13(9)17(19(27)31-18(21)10-4-6-28-8-10)30-20-16(26)15(25)14(24)12(7-22)29-20/h4,6,8-9,11-12,14-16,18,20,22-26H,3,5,7H2,1-2H3 |
| InChI Key | LCTOSZCTPPDUGE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O10 |
| Molecular Weight | 440.40 g/mol |
| Exact Mass | 440.16824709 g/mol |
| Topological Polar Surface Area (TPSA) | 159.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of 1-(furan-3-yl)-6-hydroxy-5,8a-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydro-1H-isochromen-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/97a69360-859d-11ee-9e8a-67037b07ec42.jpg "2D Structure of 1-(furan-3-yl)-6-hydroxy-5,8a-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,8-tetrahydro-1H-isochromen-3-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 | 99.30% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.13% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.75% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.18% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.38% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.26% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.98% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.42% | 95.56% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 89.10% | 95.83% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.84% | 95.89% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.08% | 91.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.00% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.25% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.10% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.16% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.75% | 97.25% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.35% | 96.00% |
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.
| Fagaropsis glabra |
| PubChem | 163097824 |
| LOTUS | LTS0149608 |
| wikiData | Q105149984 |