5-Hydroxy-4,6-dimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
Internal ID | be595f7b-08fd-4329-8db8-76eafd634b63 |
Taxonomy | Phenylpropanoids and polyketides > Aurone flavonoids |
IUPAC Name | 5-hydroxy-4,6-dimethoxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one |
SMILES (Canonical) | COC1=CC=C(C=C1)C=C2C(=O)C3=C(C(=C(C=C3O2)OC)O)OC |
SMILES (Isomeric) | COC1=CC=C(C=C1)C=C2C(=O)C3=C(C(=C(C=C3O2)OC)O)OC |
InChI | InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)8-14-16(19)15-12(24-14)9-13(22-2)17(20)18(15)23-3/h4-9,20H,1-3H3 |
InChI Key | SDBGODOJRLLNSU-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C18H16O6 |
Molecular Weight | 328.30 g/mol |
Exact Mass | 328.09468823 g/mol |
Topological Polar Surface Area (TPSA) | 74.20 Ų |
XlogP | 3.20 |
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 |
---|---|---|---|---|
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.56% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.23% | 95.56% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 95.24% | 91.49% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.86% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.21% | 94.45% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.14% | 96.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.93% | 89.00% |
CHEMBL4208 | P20618 | Proteasome component C5 | 90.28% | 90.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.27% | 99.15% |
CHEMBL2581 | P07339 | Cathepsin D | 85.57% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 85.04% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.71% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.38% | 96.09% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.11% | 99.23% |
CHEMBL2535 | P11166 | Glucose transporter | 82.47% | 98.75% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.90% | 80.78% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.85% | 94.00% |
CHEMBL3194 | P02766 | Transthyretin | 80.11% | 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.
Helianthus annuus |
PubChem | 74819323 |
LOTUS | LTS0088507 |
wikiData | Q105250548 |