(2Z)-2-[[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one
| Internal ID | f84c4fed-4ce8-425f-8cfe-92199b5f778c |
| Taxonomy | Phenylpropanoids and polyketides > Aurone flavonoids |
| IUPAC Name | (2Z)-2-[[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one |
| SMILES (Canonical) | CC(=CCC1=CC(=C(C(=C1O)O)CC=C(C)C)C=C2C(=O)C3=C(C=C(C=C3O2)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=C(C(=C1O)O)CC=C(C)C)/C=C\2/C(=O)C3=C(C=C(C=C3O2)O)O)C |
| InChI | InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(18(8-6-14(3)4)24(29)23(15)28)10-21-25(30)22-19(27)11-17(26)12-20(22)31-21/h5-6,9-12,26-29H,7-8H2,1-4H3/b21-10- |
| InChI Key | DGOXJSOLPSTJOD-FBHDLOMBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of (2Z)-2-[[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]methylidene]-4,6-dihydroxy-1-benzofuran-3-one](https://plantaedb.com/storage/docs/compounds/2023/11/0cc34d20-8595-11ee-8869-61c5cdfb9aad.jpg "2D Structure of (2Z)-2-[[3,4-dihydroxy-2,5-bis(3-methylbut-2-enyl)phenyl]methylidene]-4,6-dihydroxy-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.50% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.80% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 97.02% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.89% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.68% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.01% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.66% | 95.56% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 88.66% | 96.12% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.20% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.07% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.52% | 94.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.25% | 89.34% |
| CHEMBL3194 | P02766 | Transthyretin | 82.51% | 90.71% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 82.34% | 85.30% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.73% | 95.17% |
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.
| Antiaris toxicaria |
| PubChem | 14655805 |
| LOTUS | LTS0084038 |
| wikiData | Q104978960 |