4,2',4'-Trihydroxy-3-methoxydihydrochalcone

Details

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Internal ID 73c2be70-f636-4564-b10c-69e419692170
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones
IUPAC Name 1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propan-1-one
SMILES (Canonical) COC1=C(C=CC(=C1)CCC(=O)C2=C(C=C(C=C2)O)O)O
SMILES (Isomeric) COC1=C(C=CC(=C1)CCC(=O)C2=C(C=C(C=C2)O)O)O
InChI InChI=1S/C16H16O5/c1-21-16-8-10(3-7-14(16)19)2-6-13(18)12-5-4-11(17)9-15(12)20/h3-5,7-9,17,19-20H,2,6H2,1H3
InChI Key NKLQEBAADGTJCF-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H16O5
Molecular Weight 288.29 g/mol
Exact Mass 288.09977361 g/mol
Topological Polar Surface Area (TPSA) 87.00 Ų
XlogP 3.00

Synonyms

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SCHEMBL1840837
CHEBI:197220
LMPK12120458
1-(2,4-dihydroxyphenyl)-3-(4-hydroxy-3-methoxyphenyl)propan-1-one

2D Structure

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2D Structure of 4,2',4'-Trihydroxy-3-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.10% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.52% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.96% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.30% 99.17%
CHEMBL2535 P11166 Glucose transporter 93.10% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.82% 86.33%
CHEMBL4208 P20618 Proteasome component C5 90.78% 90.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.68% 94.45%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 90.41% 95.17%
CHEMBL1255126 O15151 Protein Mdm4 87.57% 90.20%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.62% 95.50%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.08% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.53% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 84.49% 99.15%

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.
Iryanthera polyneura

Cross-Links

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PubChem 21722167
LOTUS LTS0058935
wikiData Q104172592