1-(2,3-Dihydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one

Details

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Internal ID 4cb362df-311f-4259-a725-889be186b202
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
IUPAC Name 1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one
SMILES (Canonical) COC1=CC(=C(C(=C1C(=O)C=CC2=CC=CC=C2)O)O)OC
SMILES (Isomeric) COC1=CC(=C(C(=C1C(=O)C=CC2=CC=CC=C2)O)O)OC
InChI InChI=1S/C17H16O5/c1-21-13-10-14(22-2)16(19)17(20)15(13)12(18)9-8-11-6-4-3-5-7-11/h3-10,19-20H,1-2H3
InChI Key IAYOHSHBLLHXFB-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H16O5
Molecular Weight 300.30 g/mol
Exact Mass 300.09977361 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 3.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-(2,3-Dihydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.30% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 96.85% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.30% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 94.37% 96.00%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 93.18% 98.21%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.78% 96.09%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 87.54% 95.50%
CHEMBL1255126 O15151 Protein Mdm4 85.97% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.52% 99.17%
CHEMBL3194 P02766 Transthyretin 84.00% 90.71%
CHEMBL4208 P20618 Proteasome component C5 82.93% 90.00%
CHEMBL2535 P11166 Glucose transporter 81.25% 98.75%
CHEMBL3192 Q9BY41 Histone deacetylase 8 80.95% 93.99%
CHEMBL3401 O75469 Pregnane X receptor 80.75% 94.73%

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.
Uvaria dulcis

Cross-Links

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PubChem 72727676
LOTUS LTS0238846
wikiData Q105036354