2',4'-Dihydroxychalcone

Details

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Internal ID d9f00f27-7b3a-48ac-babb-fc4d5b35e021
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
IUPAC Name (E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
SMILES (Canonical) C1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)O)O
SMILES (Isomeric) C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O
InChI InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+
InChI Key JUMSUVHHUVPSOY-RMKNXTFCSA-N
Popularity 99 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12O3
Molecular Weight 240.25 g/mol
Exact Mass 240.078644241 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 3.50

Synonyms

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1776-30-3
1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
(E)-1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
25515-43-9
CHALCONE, 2',4'-DIHYDROXY-
CHEMBL105310
(E)-2',4'-Dihydroxychalcone
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-phenyl-
1-(2,4-Dihydroxyphenyl)-3-phenyl-2-propen-1-one
NSC-401492
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2',4'-Dihydroxychalcone

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
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 15848.9 nM
Potency
via CMAUP
CHEMBL3577 P00352 Aldehyde dehydrogenase 1A1 39810.7 nM
Potency
via CMAUP
CHEMBL2903 P16050 Arachidonate 15-lipoxygenase 19952.6 nM
Potency
via CMAUP
CHEMBL340 P08684 Cytochrome P450 3A4 1584.9 nM
1584.9 nM
Potency
Potency
via CMAUP
via CMAUP
CHEMBL4159 Q99714 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein 25118.9 nM
Potency
via CMAUP
CHEMBL1293226 B2RXH2 Lysine-specific demethylase 4D-like 35481.3 nM
Potency
via CMAUP
CHEMBL4040 P28482 MAP kinase ERK2 31622.8 nM
Potency
via CMAUP
CHEMBL1293224 P10636 Microtubule-associated protein tau 12589.3 nM
44668.4 nM
Potency
Potency
via CMAUP
via CMAUP
CHEMBL1293232 Q16637 Survival motor neuron protein 28183.8 nM
Potency
via CMAUP
CHEMBL1947 P10828 Thyroid hormone receptor beta-1 35481.3 nM
Potency
via CMAUP
CHEMBL1075138 Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 39810.7 nM
Potency
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.00% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.91% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.25% 86.33%
CHEMBL3194 P02766 Transthyretin 91.85% 90.71%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 91.34% 94.62%
CHEMBL2581 P07339 Cathepsin D 88.33% 98.95%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 87.68% 95.50%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 86.60% 91.71%
CHEMBL2568 P06737 Liver glycogen phosphorylase 83.98% 96.92%
CHEMBL2535 P11166 Glucose transporter 82.54% 98.75%
CHEMBL4208 P20618 Proteasome component C5 81.17% 90.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 81.01% 93.99%

Cross-Links

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PubChem 5376979
NPASS NPC297186
ChEMBL CHEMBL105310
LOTUS LTS0030475
wikiData Q63409181