1-(7-Hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Details

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Internal ID d7aff0ab-1d6b-42a9-9186-a414d2e8385c
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
IUPAC Name 1-(7-hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H26O7/c1-24(2)10-9-15-18(27-3)13-17(26)21(22(15)31-24)16(25)8-7-14-11-19(28-4)23(30-6)20(12-14)29-5/h7-13,26H,1-6H3
InChI Key NPYZCJPNWUTNDN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C24H26O7
Molecular Weight 426.50 g/mol
Exact Mass 426.16785316 g/mol
Topological Polar Surface Area (TPSA) 83.50 Ų
XlogP 4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-(7-Hydroxy-5-methoxy-2,2-dimethylchromen-8-yl)-3-(3,4,5-trimethoxyphenyl)prop-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 98.89% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.57% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 94.97% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.79% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.09% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.31% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.75% 96.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.90% 85.14%
CHEMBL3194 P02766 Transthyretin 88.38% 90.71%
CHEMBL1255126 O15151 Protein Mdm4 87.44% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.94% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 86.25% 94.73%
CHEMBL4208 P20618 Proteasome component C5 84.34% 90.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 82.88% 91.07%
CHEMBL2413 P32246 C-C chemokine receptor type 1 81.64% 89.50%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.42% 97.14%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 162963180
LOTUS LTS0072951
wikiData Q104179895