5,7-Dimethoxy-4'-hydroxyflavanone

Details

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Internal ID f823538b-a3de-4040-8f43-0a67a36be7fc
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=CC2=C(C(=O)CC(O2)C3=CC=C(C=C3)O)C(=C1)OC
SMILES (Isomeric) COC1=CC2=C(C(=O)CC(O2)C3=CC=C(C=C3)O)C(=C1)OC
InChI InChI=1S/C17H16O5/c1-20-12-7-15(21-2)17-13(19)9-14(22-16(17)8-12)10-3-5-11(18)6-4-10/h3-8,14,18H,9H2,1-2H3
InChI Key REBBZOCNEVVAPX-UHFFFAOYSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C17H16O5
Molecular Weight 300.30 g/mol
Exact Mass 300.09977361 g/mol
Topological Polar Surface Area (TPSA) 65.00 Ų
XlogP 2.50

Synonyms

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26207-67-0
2-(4-hydroxyphenyl)-5,7-dimethoxychroman-4-one
Naringenin 5,7-dimethyl ether
CHEMBL2299039
5,7-DIMETHOXY-4-HYDROXYFLAVANONE
4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-5,7-dimethoxy-
SCHEMBL5085603
DTXSID40414920
REBBZOCNEVVAPX-UHFFFAOYSA-N
4'-hydroxy-5,7-dimethoxyflavanone
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 5,7-Dimethoxy-4'-hydroxyflavanone

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 96.97% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.56% 85.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.70% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.25% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.48% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.77% 94.45%
CHEMBL4208 P20618 Proteasome component C5 90.62% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.90% 94.00%
CHEMBL2581 P07339 Cathepsin D 88.34% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.28% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.80% 99.23%
CHEMBL2535 P11166 Glucose transporter 87.15% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 86.28% 99.15%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.06% 89.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.79% 95.89%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.40% 99.17%
CHEMBL3438 Q05513 Protein kinase C zeta 80.27% 88.48%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.06% 95.89%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 80.04% 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.
Abies nephrolepis
Viscum album

Cross-Links

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PubChem 5271551
LOTUS LTS0268079
wikiData Q82224006