5,7-Dihydroxy-3'-methoxyflavanone

Details

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Internal ID 7d4841fb-3c0f-4012-b538-c30c71f8dda5
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 3-O-methylated flavonoids
IUPAC Name 5,7-dihydroxy-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H14O5/c1-20-11-4-2-3-9(5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3
InChI Key RRBWQNNVMSQYDT-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H14O5
Molecular Weight 286.28 g/mol
Exact Mass 286.08412354 g/mol
Topological Polar Surface Area (TPSA) 76.00 Ų
XlogP 2.70

Synonyms

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5,7-Dihydroxy-3'-methoxyflavanone
5,7-dihydroxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
5,7-dihydroxy-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one

2D Structure

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2D Structure of 5,7-Dihydroxy-3'-methoxyflavanone

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 98.67% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.69% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.32% 96.09%
CHEMBL2581 P07339 Cathepsin D 94.09% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.44% 99.23%
CHEMBL1929 P47989 Xanthine dehydrogenase 93.30% 96.12%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.84% 99.15%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.47% 97.09%
CHEMBL3231 Q13464 Rho-associated protein kinase 1 89.96% 95.55%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.85% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.87% 86.33%
CHEMBL2535 P11166 Glucose transporter 88.70% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.60% 94.45%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.26% 95.89%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.33% 93.99%
CHEMBL4208 P20618 Proteasome component C5 86.53% 90.00%
CHEMBL3401 O75469 Pregnane X receptor 85.72% 94.73%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.22% 89.00%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 82.42% 100.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.29% 92.62%

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.
Baccharis truncata

Cross-Links

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PubChem 101675301
LOTUS LTS0106389
wikiData Q105243927