4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(2-methoxyphenyl)-

Details

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Internal ID d8976c6e-cf52-4639-bed1-a114a592c5e2
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 2-O-methylated flavonoids
IUPAC Name 5,7-dihydroxy-2-(2-methoxyphenyl)chromen-4-one
SMILES (Canonical) COC1=CC=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O
SMILES (Isomeric) COC1=CC=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI InChI=1S/C16H12O5/c1-20-13-5-3-2-4-10(13)14-8-12(19)16-11(18)6-9(17)7-15(16)21-14/h2-8,17-18H,1H3
InChI Key SWYVZKGICYEZDR-UHFFFAOYSA-N
Popularity 6 references in papers

Physical and Chemical Properties

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Molecular Formula C16H12O5
Molecular Weight 284.26 g/mol
Exact Mass 284.06847348 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 2.10

Synonyms

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10458-35-2
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(2-methoxyphenyl)-
5,7-dihydroxy-2'-methoxyflavone
5,7-dihydroxy-2-(2-methoxyphenyl)chromen-4-one
Flavone, 5,7-dihydroxy-2'-methoxy-
SWYVZKGICYEZDR-UHFFFAOYSA-N
4h-1-benzopyran-4-one,5,7-dihydroxy-2-(2-methoxyphenyl)-
DTXSID001346706
Q63399612
5,7-Dihydroxy-2-(2-methoxyphenyl)-4H-chromen-4-one #

2D Structure

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2D Structure of 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(2-methoxyphenyl)-

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 98.39% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.14% 95.56%
CHEMBL2581 P07339 Cathepsin D 96.00% 98.95%
CHEMBL3194 P02766 Transthyretin 92.63% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 92.56% 89.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.56% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.03% 86.33%
CHEMBL2535 P11166 Glucose transporter 91.66% 98.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.81% 99.23%
CHEMBL1951 P21397 Monoamine oxidase A 82.51% 91.49%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.86% 95.50%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.80% 99.17%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.83% 99.15%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 80.06% 80.78%

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.
Scutellaria adenostegia
Scutellaria prostrata

Cross-Links

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PubChem 5378210
LOTUS LTS0183204
wikiData Q63399612