2',4',alpha-Trihydroxy-4-methoxydihydrochalcone

Details

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Internal ID 444c2a31-1ac4-4219-8db2-62bac55d37e5
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones
IUPAC Name (2R)-1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(4-methoxyphenyl)propan-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H16O5/c1-21-12-5-2-10(3-6-12)8-15(19)16(20)13-7-4-11(17)9-14(13)18/h2-7,9,15,17-19H,8H2,1H3/t15-/m1/s1
InChI Key HCKOSOAGJKXJSO-OAHLLOKOSA-N
Popularity 2 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 2.80

Synonyms

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CHEBI:185307
LMPK12120576
(2R)-1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(4-methoxyphenyl)propan-1-one

2D Structure

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2D Structure of 2',4',alpha-Trihydroxy-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.74% 96.09%
CHEMBL2581 P07339 Cathepsin D 97.71% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.22% 91.11%
CHEMBL4208 P20618 Proteasome component C5 93.97% 90.00%
CHEMBL2535 P11166 Glucose transporter 93.37% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.34% 99.17%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.58% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.85% 95.56%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 89.01% 96.95%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.64% 95.50%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.29% 94.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 87.36% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.59% 94.45%
CHEMBL3492 P49721 Proteasome Macropain subunit 84.03% 90.24%
CHEMBL1293249 Q13887 Kruppel-like factor 5 82.63% 86.33%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 82.46% 91.71%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 82.40% 97.21%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.98% 91.07%
CHEMBL340 P08684 Cytochrome P450 3A4 80.73% 91.19%

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 13952172
LOTUS LTS0122585
wikiData Q76423469