Isobonducellin
| Internal ID | 9397b0d0-eba9-43ca-bbd5-056ac40ccf98 |
| Taxonomy | Phenylpropanoids and polyketides > Homoisoflavonoids |
| IUPAC Name | (3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one |
| SMILES (Canonical) | COC1=CC=C(C=C1)C=C2COC3=C(C2=O)C=CC(=C3)O |
| SMILES (Isomeric) | COC1=CC=C(C=C1)/C=C\2/COC3=C(C2=O)C=CC(=C3)O |
| InChI | InChI=1S/C17H14O4/c1-20-14-5-2-11(3-6-14)8-12-10-21-16-9-13(18)4-7-15(16)17(12)19/h2-9,18H,10H2,1H3/b12-8- |
| InChI Key | DLQSYZMPSWHYMW-WQLSENKSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H14O4 |
| Molecular Weight | 282.29 g/mol |
| Exact Mass | 282.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.00 |
| 610778-85-3 |
| (3Z)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one |
| CHEMBL1253830 |
| (3Z)-2,3-Dihydro-7-hydroxy-3-[(4-methoxyphenyl)methylene]-4H-1-benzopyran-4-one |
| AKOS040761873 |
| (3Z)-3-(4-Methoxybenzylidene)-7-hydroxychroman-4-one |
| (z)-7-hydroxy-3-(4'-methoxybenzylidene) chroman-4-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 | 98.47% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.97% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.46% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.79% | 90.00% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.07% | 96.12% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.73% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.34% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.14% | 96.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 89.95% | 83.57% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.03% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.89% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.37% | 95.89% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.61% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.33% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.33% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.96% | 99.23% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.90% | 82.67% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.46% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.44% | 98.75% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.11% | 99.15% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.48% | 95.93% |
| CHEMBL3194 | P02766 | Transthyretin | 80.10% | 90.71% |
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.
| PubChem | 10423880 |
| NPASS | NPC107662 |
| LOTUS | LTS0084676 |
| wikiData | Q104984572 |