6'-Hydroxy-4,4'-dimethoxychalcone

Details

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Internal ID 46e93773-d306-4a9f-89aa-1a9c3f8977f9
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
IUPAC Name 1-(2-hydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SMILES (Canonical) COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OC)O
SMILES (Isomeric) COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OC)O
InChI InChI=1S/C17H16O4/c1-20-13-6-3-12(4-7-13)5-10-16(18)15-9-8-14(21-2)11-17(15)19/h3-11,19H,1-2H3
InChI Key OAAPAFSEMHJNTF-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C17H16O4
Molecular Weight 284.31 g/mol
Exact Mass 284.10485899 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 4.00

Synonyms

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DTXSID301347058
HMS3331B03
6'-hydroxy-4,4'-dimethoxychalcone

2D Structure

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2D Structure of 6'-Hydroxy-4,4'-dimethoxychalcone

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
CHEMBL1293232 Q16637 Survival motor neuron protein 794.3 nM
Potency
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.64% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.18% 95.56%
CHEMBL4208 P20618 Proteasome component C5 93.55% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.28% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.69% 96.09%
CHEMBL3194 P02766 Transthyretin 89.98% 90.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.42% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.42% 96.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 87.63% 95.50%
CHEMBL2535 P11166 Glucose transporter 86.56% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.34% 99.15%
CHEMBL1929 P47989 Xanthine dehydrogenase 84.99% 96.12%
CHEMBL2581 P07339 Cathepsin D 81.80% 98.95%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.56% 91.07%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.70% 93.99%

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.
Bidens tripartita

Cross-Links

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PubChem 98120
LOTUS LTS0121252
wikiData Q105188557