1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one

Details

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Internal ID 5d35b253-916f-4a49-830f-d43b1f2c2b52
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxy-dihydrochalcones
IUPAC Name 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-1-one
SMILES (Canonical) COC1=CC(=C(C(=C1)OC)C(=O)CCC2=CC=CC=C2)O
SMILES (Isomeric) COC1=CC(=C(C(=C1)OC)C(=O)CCC2=CC=CC=C2)O
InChI InChI=1S/C17H18O4/c1-20-13-10-15(19)17(16(11-13)21-2)14(18)9-8-12-6-4-3-5-7-12/h3-7,10-11,19H,8-9H2,1-2H3
InChI Key JAJFQMZJIQDRSX-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C17H18O4
Molecular Weight 286.32 g/mol
Exact Mass 286.12050905 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 3.60

Synonyms

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3791-76-2
Dihydroflavokawin B
1-(2-Hydroxy-4,6-dimethoxy-phenyl)-3-phenyl-propan-1-one
CHEMBL492166
dihydroflavokawain b
NSC112157
SCHEMBL1937964
DTXSID10296851
BDBM50491167
LMPK12120513
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-phenylpropan-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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.66% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.26% 86.33%
CHEMBL2581 P07339 Cathepsin D 94.19% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.15% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.97% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.91% 95.56%
CHEMBL1255126 O15151 Protein Mdm4 90.45% 90.20%
CHEMBL4208 P20618 Proteasome component C5 90.43% 90.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 89.87% 95.50%
CHEMBL2535 P11166 Glucose transporter 89.54% 98.75%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 88.01% 92.67%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.13% 99.15%
CHEMBL3401 O75469 Pregnane X receptor 85.44% 94.73%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 84.93% 85.14%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 82.00% 94.62%

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.
Alpinia formosana
Alpinia zerumbet
Empetrum nigrum
Piper aduncum
Sarcandra glabra

Cross-Links

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PubChem 270058
LOTUS LTS0273263
wikiData Q82037643