2,4'-Dihydroxy-4-Methoxydihydrochalcone

Details

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Internal ID b4465c9d-e166-4f71-af27-8e64c0ac813f
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > Retro-dihydrochalcones
IUPAC Name 3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H16O4/c1-20-14-8-4-12(16(19)10-14)5-9-15(18)11-2-6-13(17)7-3-11/h2-4,6-8,10,17,19H,5,9H2,1H3
InChI Key RORZHTZYZDZJKG-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C16H16O4
Molecular Weight 272.29 g/mol
Exact Mass 272.10485899 g/mol
Topological Polar Surface Area (TPSA) 66.80 Ų
XlogP 2.80

Synonyms

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3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
RefChem:81961
98094-90-7
SCHEMBL4316064
CHEMBL1081513
SCHEMBL31237171
CHEBI:180159
LMPK12120601
1-(4-hydroxyphenyl)-3-(2-hydroxy-4-methoxyphenyl)-1-propanone

2D Structure

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2D Structure of 2,4'-Dihydroxy-4-Methoxydihydrochalcone

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 97.96% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.10% 99.17%
CHEMBL4208 P20618 Proteasome component C5 94.80% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.88% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.18% 96.09%
CHEMBL2535 P11166 Glucose transporter 90.93% 98.75%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.75% 93.99%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.19% 95.56%
CHEMBL2581 P07339 Cathepsin D 83.99% 98.95%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.15% 96.95%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 82.70% 95.89%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.79% 91.07%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 80.19% 85.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 80.07% 94.00%

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.
Soymida febrifuga

Cross-Links

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PubChem 14157883
NPASS NPC189106
ChEMBL CHEMBL1081513
LOTUS LTS0202107
wikiData Q104172164