2-[(3,4-Dihydroxyphenyl)methylidene]-6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-one
Internal ID | c981ca5f-60d8-480e-9e39-a76a06fdd16b |
Taxonomy | Phenylpropanoids and polyketides > Aurone flavonoids |
IUPAC Name | 2-[(3,4-dihydroxyphenyl)methylidene]-6-hydroxy-7-(3-methylbut-2-enyl)-1-benzofuran-3-one |
SMILES (Canonical) | CC(=CCC1=C(C=CC2=C1OC(=CC3=CC(=C(C=C3)O)O)C2=O)O)C |
SMILES (Isomeric) | CC(=CCC1=C(C=CC2=C1OC(=CC3=CC(=C(C=C3)O)O)C2=O)O)C |
InChI | InChI=1S/C20H18O5/c1-11(2)3-5-13-15(21)8-6-14-19(24)18(25-20(13)14)10-12-4-7-16(22)17(23)9-12/h3-4,6-10,21-23H,5H2,1-2H3 |
InChI Key | GKIZWUHTCYQZHL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H18O5 |
Molecular Weight | 338.40 g/mol |
Exact Mass | 338.11542367 g/mol |
Topological Polar Surface Area (TPSA) | 87.00 Ų |
XlogP | 4.50 |
There are no found synonyms. |
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 | 99.94% | 91.49% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.42% | 91.11% |
CHEMBL2581 | P07339 | Cathepsin D | 96.51% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 94.27% | 94.73% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.14% | 95.56% |
CHEMBL1929 | P47989 | Xanthine dehydrogenase | 91.25% | 96.12% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.39% | 89.00% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.12% | 93.40% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.85% | 86.33% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.24% | 90.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.39% | 99.23% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.36% | 100.00% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.86% | 96.00% |
CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.66% | 91.38% |
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.
Glycyrrhiza glabra |
PubChem | 163060032 |
LOTUS | LTS0137066 |
wikiData | Q105010049 |