3'-Methoxyflavone

Details

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Internal ID 6f575352-d38a-41dd-a18f-898048d0c4d0
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids
IUPAC Name 2-(3-methoxyphenyl)chromen-4-one
SMILES (Canonical) COC1=CC=CC(=C1)C2=CC(=O)C3=CC=CC=C3O2
SMILES (Isomeric) COC1=CC=CC(=C1)C2=CC(=O)C3=CC=CC=C3O2
InChI InChI=1S/C16H12O3/c1-18-12-6-4-5-11(9-12)16-10-14(17)13-7-2-3-8-15(13)19-16/h2-10H,1H3
InChI Key KIEVPIBIYKKJRJ-UHFFFAOYSA-N
Popularity 23 references in papers

Physical and Chemical Properties

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Molecular Formula C16H12O3
Molecular Weight 252.26 g/mol
Exact Mass 252.078644241 g/mol
Topological Polar Surface Area (TPSA) 35.50 Ų
XlogP 3.50

Synonyms

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2-(3-methoxyphenyl)chromen-4-one
53906-83-5
2-(3-Methoxyphenyl)-4H-chromen-4-one
3'-Methoxy-flavone
Flavone, 3'-methoxy
ST056007
SCHEMBL360247
3'-methoxyflavone, AldrichCPR
CHEMBL342343
CHEBI:63327
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 3'-Methoxyflavone

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 97.84% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.45% 95.56%
CHEMBL2581 P07339 Cathepsin D 95.36% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 93.84% 94.00%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 93.30% 92.08%
CHEMBL1907 P15144 Aminopeptidase N 92.64% 93.31%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.76% 85.14%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.97% 93.99%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.37% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.87% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.73% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 86.95% 94.73%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.62% 95.50%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 86.56% 92.67%
CHEMBL2083 P15090 Fatty acid binding protein adipocyte 85.05% 95.71%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 84.59% 94.03%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.28% 99.15%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.09% 97.14%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 82.89% 93.65%
CHEMBL2535 P11166 Glucose transporter 82.04% 98.75%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 81.91% 100.00%

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.
Primula macrophylla
Primula veris

Cross-Links

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PubChem 619834
LOTUS LTS0180366
wikiData Q82121051