7-Hydroxy-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]chromen-2-one
| Internal ID | 8e88df4b-3f50-4364-aeb4-7f1721f2bd55 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | 7-hydroxy-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]chromen-2-one |
| SMILES (Canonical) | C1=CC(=O)OC2=CC(=C(C=C21)CCOC3C(C(C(C(O3)CO)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=O)OC2=CC(=C(C=C21)CCOC3C(C(C(C(O3)CO)O)O)O)O |
| InChI | InChI=1S/C17H20O9/c18-7-12-14(21)15(22)16(23)17(26-12)24-4-3-8-5-9-1-2-13(20)25-11(9)6-10(8)19/h1-2,5-6,12,14-19,21-23H,3-4,7H2 |
| InChI Key | VEHQNUUANSLPNH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H20O9 |
| Molecular Weight | 368.30 g/mol |
| Exact Mass | 368.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of 7-Hydroxy-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/7-hydroxy-6-2-345-trihydroxy-6-hydroxymethyloxan-2-yloxyethylchromen-2-one.jpg "2D Structure of 7-Hydroxy-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]chromen-2-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 | 99.51% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.84% | 98.95% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 93.15% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.88% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.64% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 88.25% | 86.92% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.26% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.98% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.09% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.22% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.62% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 82.54% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.14% | 86.33% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.53% | 94.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.96% | 97.09% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.61% | 97.36% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.34% | 99.23% |
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.
| Phellodendron amurense |
| PubChem | 73239315 |
| LOTUS | LTS0199951 |
| wikiData | Q105284600 |