5,6,8-Trihydroxy-3-(4-hydroxyphenyl)chromen-4-one

Details

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Internal ID c058784e-7fc5-4bc9-bffd-d89501a46bc1
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones
IUPAC Name 5,6,8-trihydroxy-3-(4-hydroxyphenyl)chromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)9-6-21-15-11(18)5-10(17)14(20)12(15)13(9)19/h1-6,16-18,20H
InChI Key BNMUTGOMEWQLBJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H10O6
Molecular Weight 286.24 g/mol
Exact Mass 286.04773803 g/mol
Topological Polar Surface Area (TPSA) 107.00 Ų
XlogP 2.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5,6,8-Trihydroxy-3-(4-hydroxyphenyl)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 98.60% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.48% 98.95%
CHEMBL242 Q92731 Estrogen receptor beta 94.02% 98.35%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.32% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.99% 99.15%
CHEMBL3194 P02766 Transthyretin 91.53% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.19% 89.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.69% 86.33%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 86.33% 91.71%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 86.30% 95.64%
CHEMBL3038469 P24941 CDK2/Cyclin A 84.51% 91.38%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.80% 95.56%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 81.65% 95.78%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.84% 99.17%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 80.39% 85.11%

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 156695537
LOTUS LTS0076028
wikiData Q104938901