7-Hydroxy-3-(3-hydroxy-2-methoxyphenyl)-5,6-dimethoxychromen-4-one

Details

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Internal ID b33e59cd-fd19-43b8-876e-afa34d80df4e
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones
IUPAC Name 7-hydroxy-3-(3-hydroxy-2-methoxyphenyl)-5,6-dimethoxychromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H16O7/c1-22-16-9(5-4-6-11(16)19)10-8-25-13-7-12(20)17(23-2)18(24-3)14(13)15(10)21/h4-8,19-20H,1-3H3
InChI Key QELFIRCRVUZWPY-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 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7-Hydroxy-3-(3-hydroxy-2-methoxyphenyl)-5,6-dimethoxychromen-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 98.24% 91.11%
CHEMBL2581 P07339 Cathepsin D 96.72% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.46% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.68% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.43% 86.33%
CHEMBL2535 P11166 Glucose transporter 89.37% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.82% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.79% 99.15%
CHEMBL1937 Q92769 Histone deacetylase 2 84.90% 94.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 84.13% 99.23%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 81.19% 80.78%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 80.72% 94.03%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 14825819
LOTUS LTS0125424
wikiData Q105219281