5,7-Dihydroxy-3-(2,3,4-trimethoxyphenyl)chromen-4-one

Details

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Internal ID 00e3f57e-ee19-45e9-b088-f3cd73f0c73f
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones
IUPAC Name 5,7-dihydroxy-3-(2,3,4-trimethoxyphenyl)chromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H16O7/c1-22-13-5-4-10(17(23-2)18(13)24-3)11-8-25-14-7-9(19)6-12(20)15(14)16(11)21/h4-8,19-20H,1-3H3
InChI Key QYXNBMPHHFODSC-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C18H16O7
Molecular Weight 344.30 g/mol
Exact Mass 344.08960285 g/mol
Topological Polar Surface Area (TPSA) 94.50 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5,7-Dihydroxy-3-(2,3,4-trimethoxyphenyl)chromen-4-one

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 97.15% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.45% 95.56%
CHEMBL2581 P07339 Cathepsin D 94.76% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.55% 86.33%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.16% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.85% 89.00%
CHEMBL2535 P11166 Glucose transporter 89.70% 98.75%
CHEMBL3194 P02766 Transthyretin 88.96% 90.71%
CHEMBL4208 P20618 Proteasome component C5 88.72% 90.00%
CHEMBL1929 P47989 Xanthine dehydrogenase 88.25% 96.12%
CHEMBL1255126 O15151 Protein Mdm4 86.25% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.72% 99.17%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 85.27% 98.21%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 82.46% 80.78%
CHEMBL4302 P08183 P-glycoprotein 1 80.57% 92.98%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.10% 93.65%

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.
Argemone mexicana

Cross-Links

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PubChem 163082606
LOTUS LTS0044158
wikiData Q105231062