Phomopside B
| Internal ID | dced240d-ed56-4c52-962b-bc2ebf934495 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 2-[(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)oxy]-6-hydroxy-4-methylbenzaldehyde |
| SMILES (Canonical) | CC1=CC(=C(C(=C1)OC2=C(C(=C3COC(=O)C3=C2O)C)O)C=O)O |
| SMILES (Isomeric) | CC1=CC(=C(C(=C1)OC2=C(C(=C3COC(=O)C3=C2O)C)O)C=O)O |
| InChI | InChI=1S/C17H14O7/c1-7-3-11(19)9(5-18)12(4-7)24-16-14(20)8(2)10-6-23-17(22)13(10)15(16)21/h3-5,19-21H,6H2,1-2H3 |
| InChI Key | PBKRVJIQYYYZMX-UHFFFAOYSA-N |
| Popularity | 39 references in papers |
| Molecular Formula | C17H14O7 |
| Molecular Weight | 330.29 g/mol |
| Exact Mass | 330.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 3.10 |
| RefChem:173385 |
| CHEBI:217065 |
| 2-[(4,6-dihydroxy-7-methyl-3-oxo-1H-2-benzouran-5-yl)oxy]-6-hydroxy-4-methylbenzaldehyde |
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.75% | 95.56% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 98.62% | 98.11% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 95.90% | 98.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.42% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.82% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.43% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.20% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.87% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.15% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.60% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.34% | 96.21% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.29% | 94.80% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.88% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.99% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 81.37% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.80% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.25% | 98.75% |
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 | 76764468 |
| LOTUS | LTS0221185 |
| wikiData | Q77564978 |