7-hydroxy-3-(4-methoxyphenyl)-2-methyl-4H-chromen-4-one

Details

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Internal ID 93785f26-0b4f-40ce-a279-37c3c4ffff83
Taxonomy Phenylpropanoids and polyketides > Isoflavonoids > O-methylated isoflavonoids > 4-O-methylated isoflavonoids > 4-O-methylisoflavones
IUPAC Name 7-hydroxy-3-(4-methoxyphenyl)-2-methylchromen-4-one
SMILES (Canonical) CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)OC
SMILES (Isomeric) CC1=C(C(=O)C2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)OC
InChI InChI=1S/C17H14O4/c1-10-16(11-3-6-13(20-2)7-4-11)17(19)14-8-5-12(18)9-15(14)21-10/h3-9,18H,1-2H3
InChI Key LEVXOZABOPNCSR-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C17H14O4
Molecular Weight 282.29 g/mol
Exact Mass 282.08920892 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 3.10

Synonyms

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13004-42-7
7-hydroxy-3-(4-methoxyphenyl)-2-methylchromen-4-one
LEVXOZABOPNCSR-UHFFFAOYSA-N
2-Methylformononetin
Oprea1_675184
IFLab1_003381
SCHEMBL2946452
DTXSID20419877
HMS1421J15
AKOS000122053
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 7-hydroxy-3-(4-methoxyphenyl)-2-methyl-4H-chromen-4-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 98.54% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.74% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 95.24% 99.15%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.21% 94.00%
CHEMBL2581 P07339 Cathepsin D 93.52% 98.95%
CHEMBL242 Q92731 Estrogen receptor beta 92.08% 98.35%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.25% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 91.18% 89.00%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 90.89% 91.71%
CHEMBL1907 P15144 Aminopeptidase N 90.80% 93.31%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 89.87% 86.92%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.66% 93.99%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.61% 85.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.46% 99.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 85.18% 95.50%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.08% 99.23%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 84.65% 95.53%
CHEMBL2535 P11166 Glucose transporter 84.13% 98.75%
CHEMBL3401 O75469 Pregnane X receptor 82.22% 94.73%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 81.53% 92.67%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.00% 96.00%
CHEMBL4208 P20618 Proteasome component C5 80.92% 90.00%
CHEMBL3194 P02766 Transthyretin 80.31% 90.71%

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.
Butea monosperma

Cross-Links

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PubChem 5400231
LOTUS LTS0083200
wikiData Q82231094