7,8,4'-Trihydroxyflavanone

Details

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Internal ID 305e19b7-6598-407e-9e1a-0c2eb0e6bf91
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Flavans > Flavanones
IUPAC Name 7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
SMILES (Canonical) C1C(OC2=C(C1=O)C=CC(=C2O)O)C3=CC=C(C=C3)O
SMILES (Isomeric) C1C(OC2=C(C1=O)C=CC(=C2O)O)C3=CC=C(C=C3)O
InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(18)10-5-6-11(17)14(19)15(10)20-13/h1-6,13,16-17,19H,7H2
InChI Key IXQZKAVXZDCYDY-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12O5
Molecular Weight 272.25 g/mol
Exact Mass 272.06847348 g/mol
Topological Polar Surface Area (TPSA) 87.00 Ų
XlogP 1.80

Synonyms

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7,8,4'-Trihydroxyflavanon
CHEBI:184495
LMPK12140091
7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

2D Structure

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2D Structure of 7,8,4'-Trihydroxyflavanone

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 98.17% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 97.50% 91.49%
CHEMBL3137262 O60341 LSD1/CoREST complex 92.82% 97.09%
CHEMBL242 Q92731 Estrogen receptor beta 91.30% 98.35%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.78% 95.56%
CHEMBL2581 P07339 Cathepsin D 88.48% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.23% 89.00%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 86.66% 85.11%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.44% 99.23%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.33% 99.15%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 84.79% 90.93%
CHEMBL3194 P02766 Transthyretin 82.00% 90.71%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 80.13% 85.00%

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.
Acacia maidenii
Senegalia nigrescens
Spinacia oleracea

Cross-Links

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PubChem 42607833
LOTUS LTS0151636
wikiData Q105122426