5,6,8-Trihydroxy-7,4'-dimethoxyflavone

Details

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Internal ID 5bea2eab-3167-4fa4-923f-a1982513729c
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 5,6,8-trihydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one
SMILES (Canonical) COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)O)OC)O)O
SMILES (Isomeric) COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)O)OC)O)O
InChI InChI=1S/C17H14O7/c1-22-9-5-3-8(4-6-9)11-7-10(18)12-13(19)14(20)17(23-2)15(21)16(12)24-11/h3-7,19-21H,1-2H3
InChI Key ADYFNEZQEKBCJL-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H14O7
Molecular Weight 330.29 g/mol
Exact Mass 330.07395278 g/mol
Topological Polar Surface Area (TPSA) 105.00 Ų
XlogP 2.60

Synonyms

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CHEMBL2235238
LMPK12111446
5,6,8-tri-hydroxy-7,4'-dimethoxyflavone

2D Structure

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2D Structure of 5,6,8-Trihydroxy-7,4'-dimethoxyflavone

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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 98.66% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 97.72% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.93% 99.15%
CHEMBL2581 P07339 Cathepsin D 94.89% 98.95%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 92.36% 83.57%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.88% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.30% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.26% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.96% 85.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.68% 99.17%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 85.47% 86.92%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.08% 89.00%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 84.33% 81.11%
CHEMBL1907 P15144 Aminopeptidase N 84.14% 93.31%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 83.83% 95.50%
CHEMBL4208 P20618 Proteasome component C5 81.63% 90.00%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 80.37% 87.67%

Plants that contains it

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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.
Pulicaria paludosa

Cross-Links

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PubChem 14396676
LOTUS LTS0068894
wikiData Q104909879