5-Methoxy-2-methyl-4H-chromen-4-one

Details

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Internal ID 3d779952-cdcf-49ea-8859-3b848524e134
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
IUPAC Name 5-methoxy-2-methylchromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C11H10O3/c1-7-6-8(12)11-9(13-2)4-3-5-10(11)14-7/h3-6H,1-2H3
InChI Key VMYWMHRGHYPDRO-UHFFFAOYSA-N
Popularity 11 references in papers

Physical and Chemical Properties

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Molecular Formula C11H10O3
Molecular Weight 190.19 g/mol
Exact Mass 190.062994177 g/mol
Topological Polar Surface Area (TPSA) 35.50 Ų
XlogP 2.20

Synonyms

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22105-23-3
2-methyl-5-methoxy-benzopyran-4-one
5-METHOXY-2-METHYLCHROMEN-4-ONE
5-methoxy-2-methylchromone
CHEMBL177850
SCHEMBL9976085
DTXSID50470597

2D Structure

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2D Structure of 5-Methoxy-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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.71% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.79% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.61% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 91.01% 94.73%
CHEMBL2581 P07339 Cathepsin D 90.56% 98.95%
CHEMBL2535 P11166 Glucose transporter 90.25% 98.75%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 89.44% 94.03%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.55% 93.99%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.93% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.86% 89.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 83.73% 93.65%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 82.44% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.86% 96.00%
CHEMBL1907 P15144 Aminopeptidase N 81.82% 93.31%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.38% 97.14%

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.
Ocotea corymbosa

Cross-Links

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PubChem 11687031
LOTUS LTS0078340
wikiData Q82298748