1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one

Details

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Internal ID 5ef9ae31-4c2f-41a7-93fd-f3e6f2d38d50
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones
IUPAC Name 1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)propan-1-one
SMILES (Canonical) C1=CC(=CC=C1CC(C(=O)C2=C(C=C(C=C2)O)O)O)O
SMILES (Isomeric) C1=CC(=CC=C1CC(C(=O)C2=C(C=C(C=C2)O)O)O)O
InChI InChI=1S/C15H14O5/c16-10-3-1-9(2-4-10)7-14(19)15(20)12-6-5-11(17)8-13(12)18/h1-6,8,14,16-19H,7H2
InChI Key SLKHLLNCFGPWAZ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H14O5
Molecular Weight 274.27 g/mol
Exact Mass 274.08412354 g/mol
Topological Polar Surface Area (TPSA) 98.00 Ų
XlogP 2.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)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
CHEMBL2581 P07339 Cathepsin D 97.53% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.81% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.19% 96.09%
CHEMBL2535 P11166 Glucose transporter 89.25% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.17% 99.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.94% 96.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 84.67% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.64% 94.45%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 84.09% 91.71%
CHEMBL4208 P20618 Proteasome component C5 84.01% 90.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.68% 97.21%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 82.74% 99.15%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.24% 95.50%
CHEMBL1255126 O15151 Protein Mdm4 81.07% 90.20%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.27% 95.89%

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.
Glycyrrhiza glabra
Maackia amurensis
Zollernia paraensis

Cross-Links

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PubChem 14632192
LOTUS LTS0156717
wikiData Q105255379