4-Hydroxy-2-[(4-hydroxyphenyl)methylidene]-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1-benzofuran-3-one
| Internal ID | 618c06c0-ede4-44da-b49d-1c884e5e4060 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Aurone O-glycosides |
| IUPAC Name | 4-hydroxy-2-[(4-hydroxyphenyl)methylidene]-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1-benzofuran-3-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC4=CC=C(C=C4)O)C3=O)O)O)O)O |
| SMILES (Isomeric) | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC4=CC=C(C=C4)O)C3=O)O)O)O)O |
| InChI | InChI=1S/C21H20O9/c1-9-17(24)19(26)20(27)21(28-9)29-12-7-13(23)16-14(8-12)30-15(18(16)25)6-10-2-4-11(22)5-3-10/h2-9,17,19-24,26-27H,1H3 |
| InChI Key | ZWKNCUQZWIAEDC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H20O9 |
| Molecular Weight | 416.40 g/mol |
| Exact Mass | 416.11073221 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 4-Hydroxy-2-[(4-hydroxyphenyl)methylidene]-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1-benzofuran-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/47034b80-8375-11ee-bd3a-b3931b2e093d.jpg "2D Structure of 4-Hydroxy-2-[(4-hydroxyphenyl)methylidene]-6-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1-benzofuran-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.65% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.10% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.87% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.44% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.20% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.51% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.44% | 86.33% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.62% | 97.36% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.42% | 94.80% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.12% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.03% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 85.76% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.36% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.94% | 95.89% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.87% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.82% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.73% | 96.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.12% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.23% | 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.
| Pterocarpus marsupium |
| PubChem | 74819310 |
| LOTUS | LTS0076581 |
| wikiData | Q105384999 |