2',4'-Dihydroxydihydrochalcone

Details

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Internal ID 0aa650d9-e9fb-4bba-8cc7-c84a3477b35d
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones
IUPAC Name 1-(2,4-dihydroxyphenyl)-3-phenylpropan-1-one
SMILES (Canonical) C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2)O)O
SMILES (Isomeric) C1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2)O)O
InChI InChI=1S/C15H14O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-5,7-8,10,16,18H,6,9H2
InChI Key ZUKLXLKVCGZHAA-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C15H14O3
Molecular Weight 242.27 g/mol
Exact Mass 242.094294304 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 3.30

Synonyms

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1-(2,4-dihydroxyphenyl)-3-phenylpropan-1-one
2,4-Dihydroxyphenyl-2-phenylethyl ketone
1-Propanone, 1-(2,4-dihydroxyphenyl)-3-phenyl-
SCHEMBL7301852
CHEMBL3747412
LMPK12120442
AKOS024367175
2',4'-Dihydroxy-alpha,beta-dihydrochalcone
FT-0640179
1-(2,4-dihydroxyphenyl)3-phenyl-propan-1-one
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'-Dihydroxydihydrochalcone

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
CHEMBL2581 P07339 Cathepsin D 96.47% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.26% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.93% 96.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 92.10% 94.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.61% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.72% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.51% 99.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 87.10% 95.50%
CHEMBL2535 P11166 Glucose transporter 86.73% 98.75%
CHEMBL4208 P20618 Proteasome component C5 85.47% 90.00%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 83.70% 92.67%
CHEMBL3401 O75469 Pregnane X receptor 83.35% 94.73%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 82.87% 91.71%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.69% 99.15%
CHEMBL5939 Q9NZ08 Endoplasmic reticulum aminopeptidase 1 80.58% 100.00%

Cross-Links

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PubChem 586491
NPASS NPC156139
ChEMBL CHEMBL3747412
LOTUS LTS0124650
wikiData Q105383757