3-(4-Methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one

Details

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Internal ID 4cdf8526-168d-4914-9aac-4ebc5f719ee4
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones
IUPAC Name 3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
SMILES (Canonical) COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)O)O
SMILES (Isomeric) COC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2O)O)O
InChI InChI=1S/C16H16O5/c1-21-12-5-2-10(3-6-12)4-7-13(18)16-14(19)8-11(17)9-15(16)20/h2-3,5-6,8-9,17,19-20H,4,7H2,1H3
InChI Key YQNPVOBVGNGYHD-UHFFFAOYSA-N
Popularity 3 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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3-(4-Methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
4-METHOXY-2',4',6'-TRIHYDROXYDIHYDROCHALCONE
2',4',6'-Trihydroxy-4-methoxydihydrochalcone
CHEMBL4101262
Isosakuranetin dihydrochalcone
Dihydrosakuranetin
O-methyl phloretin
EINECS 278-386-7
SCHEMBL457127
DTXSID90997516
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 3-(4-Methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.96% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.31% 91.11%
CHEMBL4208 P20618 Proteasome component C5 95.06% 90.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.02% 99.17%
CHEMBL2581 P07339 Cathepsin D 93.01% 98.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.10% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.62% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.45% 95.56%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 86.90% 96.95%
CHEMBL2535 P11166 Glucose transporter 86.30% 98.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 86.24% 94.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 85.59% 95.50%
CHEMBL3492 P49721 Proteasome Macropain subunit 83.80% 90.24%
CHEMBL3437 Q16853 Amine oxidase, copper containing 82.11% 94.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.09% 99.15%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 80.59% 86.92%

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 laevis
Iryanthera sagotiana
Piper sarmentosum

Cross-Links

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PubChem 3086055
LOTUS LTS0083345
wikiData Q82989664