[3,4,5-Trihydroxy-6-[2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yloxy]oxan-2-yl]methyl acetate
| Internal ID | 45021656-6168-4024-b38a-a3925937da5d |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Angular furanocoumarins |
| IUPAC Name | [3,4,5-trihydroxy-6-[2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yloxy]oxan-2-yl]methyl acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H26O11/c1-9(23)29-8-12-15(25)17(27)18(28)21(31-12)33-22(2,3)20-16(26)14-11(30-20)6-4-10-5-7-13(24)32-19(10)14/h4-7,12,15-18,20-21,25-28H,8H2,1-3H3 |
| InChI Key | AHCPYYIOZJJOHY-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H26O11 |
| Molecular Weight | 466.40 g/mol |
| Exact Mass | 466.14751164 g/mol |
| Topological Polar Surface Area (TPSA) | 161.00 Ų |
| XlogP | -0.80 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-[2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yloxy]oxan-2-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/d45b3530-8717-11ee-8e0d-5d138e744149.jpg "2D Structure of [3,4,5-Trihydroxy-6-[2-(9-hydroxy-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yloxy]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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.70% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.29% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.29% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.13% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.71% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.66% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.37% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.85% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.89% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.84% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.67% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.33% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.44% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.41% | 99.17% |
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 | 72972081 |
| LOTUS | LTS0040871 |
| wikiData | Q104912178 |