5,7-Dimethoxychromone

Details

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Internal ID a0f4414b-6ae2-4f8a-9276-224015b2a492
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Chromones
IUPAC Name 5,7-dimethoxychromen-4-one
SMILES (Canonical) COC1=CC2=C(C(=O)C=CO2)C(=C1)OC
SMILES (Isomeric) COC1=CC2=C(C(=O)C=CO2)C(=C1)OC
InChI InChI=1S/C11H10O4/c1-13-7-5-9(14-2)11-8(12)3-4-15-10(11)6-7/h3-6H,1-2H3
InChI Key KTYBWRXYZHFNSL-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C11H10O4
Molecular Weight 206.19 g/mol
Exact Mass 206.05790880 g/mol
Topological Polar Surface Area (TPSA) 44.80 Ų
XlogP 1.50

Synonyms

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5,7-dimethoxychromen-4-one
59887-91-1
5,7-Dimethoxy-4H-chromen-4-one
5,7-dimethoxy-4-chromenone
SCHEMBL1472177
DTXSID70495247
5,7-Dimethoxy-4H-1-benzopyran-4-one
EN300-7356591
Z1551916016

2D Structure

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2D Structure of 5,7-Dimethoxychromone

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 94.13% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.67% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.40% 94.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.28% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.22% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.72% 94.45%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.42% 93.99%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.97% 96.00%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 83.74% 94.03%
CHEMBL2581 P07339 Cathepsin D 83.28% 98.95%
CHEMBL4208 P20618 Proteasome component C5 81.87% 90.00%
CHEMBL2535 P11166 Glucose transporter 81.77% 98.75%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.74% 89.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.56% 96.09%

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.
Artemisia campestris

Cross-Links

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PubChem 12378005
LOTUS LTS0156187
wikiData Q82343225