4'-Hydroxy-7-methoxyflavone

Details

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Internal ID 932f9518-a83a-4bc1-a592-8e649ecfd209
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 2-(4-hydroxyphenyl)-7-methoxychromen-4-one
SMILES (Canonical) COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=C(C=C3)O
SMILES (Isomeric) COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=C(C=C3)O
InChI InChI=1S/C16H12O4/c1-19-12-6-7-13-14(18)9-15(20-16(13)8-12)10-2-4-11(17)5-3-10/h2-9,17H,1H3
InChI Key DZUKXCCSULKRJA-UHFFFAOYSA-N
Popularity 16 references in papers

Physical and Chemical Properties

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Molecular Formula C16H12O4
Molecular Weight 268.26 g/mol
Exact Mass 268.07355886 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 3.60

Synonyms

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RefChem:506144
109-169-6
Isopratol
4?-Hydroxy-7-methoxyflavone
32272-23-4
TNP00058
2-(4-hydroxyphenyl)-7-methoxychromen-4-one
7-Methoxy-4'-hydroxyflavone
SCHEMBL312254
CHEMBL1600520
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4'-Hydroxy-7-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
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 10000 nM
Potency
via CMAUP
CHEMBL3577 P00352 Aldehyde dehydrogenase 1A1 25118.9 nM
Potency
via CMAUP
CHEMBL4096 P04637 Cellular tumor antigen p53 12589.3 nM
Potency
via CMAUP
CHEMBL3622 P33261 Cytochrome P450 2C19 7943.3 nM
Potency
via CMAUP
CHEMBL3397 P11712 Cytochrome P450 2C9 6309.6 nM
Potency
via CMAUP
CHEMBL289 P10635 Cytochrome P450 2D6 15848.9 nM
Potency
via CMAUP
CHEMBL340 P08684 Cytochrome P450 3A4 3162.3 nM
3162.3 nM
Potency
Potency
via CMAUP
via CMAUP
CHEMBL4159 Q99714 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein 31622.8 nM
31622.8 nM
Potency
Potency
via CMAUP
via CMAUP
CHEMBL1293226 B2RXH2 Lysine-specific demethylase 4D-like 31622.8 nM
Potency
via CMAUP
CHEMBL1293224 P10636 Microtubule-associated protein tau 11220.2 nM
12589.3 nM
Potency
Potency
via CMAUP
via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.77% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 95.85% 94.00%
CHEMBL242 Q92731 Estrogen receptor beta 95.30% 98.35%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.17% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.12% 99.15%
CHEMBL2581 P07339 Cathepsin D 93.04% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.57% 85.14%
CHEMBL1907 P15144 Aminopeptidase N 91.66% 93.31%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.39% 89.00%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 88.32% 83.57%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.15% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.74% 94.45%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 84.49% 86.92%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 82.60% 95.53%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.10% 99.17%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.75% 99.23%

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.
Glycyrrhiza yunnanensis
Gynerium sagittatum

Cross-Links

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PubChem 676307
NPASS NPC250266
ChEMBL CHEMBL1600520
LOTUS LTS0226673
wikiData Q63392760