2-Propen-1-one, 1-(2,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-

Details

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Internal ID 7e7b69a8-0126-4908-9ef1-5c8f7032e60e
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
IUPAC Name 1-(2,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILES (Canonical) C1=CC(=CC=C1C=CC(=O)C2=C(C=CC(=C2)O)O)O
SMILES (Isomeric) C1=CC(=CC=C1C=CC(=O)C2=C(C=CC(=C2)O)O)O
InChI InChI=1S/C15H12O4/c16-11-4-1-10(2-5-11)3-7-14(18)13-9-12(17)6-8-15(13)19/h1-9,16-17,19H
InChI Key NMANELLSWUVZNL-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12O4
Molecular Weight 256.25 g/mol
Exact Mass 256.07355886 g/mol
Topological Polar Surface Area (TPSA) 77.80 Ų
XlogP 3.20

Synonyms

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2-Propen-1-one, 1-(2,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-
1-(2,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
DTXSID70398446

2D Structure

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2D Structure of 2-Propen-1-one, 1-(2,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.29% 91.11%
CHEMBL3194 P02766 Transthyretin 95.24% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.61% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.99% 86.33%
CHEMBL242 Q92731 Estrogen receptor beta 86.83% 98.35%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 84.45% 91.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.00% 89.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.56% 99.15%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.45% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.78% 99.17%
CHEMBL2535 P11166 Glucose transporter 80.77% 98.75%
CHEMBL4208 P20618 Proteasome component C5 80.47% 90.00%

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.
Mimosa tenuiflora

Cross-Links

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PubChem 3995255
LOTUS LTS0239173
wikiData Q82200406