2',7-Dihydroxy-5,8-dimethoxyflavanone

Details

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Internal ID 200abc8a-9f18-40bf-80b7-168000658ec2
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 8-O-methylated flavonoids
IUPAC Name (2S)-7-hydroxy-2-(2-hydroxyphenyl)-5,8-dimethoxy-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=C2C(=O)CC(OC2=C(C(=C1)O)OC)C3=CC=CC=C3O
SMILES (Isomeric) COC1=C2C(=O)C[C@H](OC2=C(C(=C1)O)OC)C3=CC=CC=C3O
InChI InChI=1S/C17H16O6/c1-21-14-8-12(20)16(22-2)17-15(14)11(19)7-13(23-17)9-5-3-4-6-10(9)18/h3-6,8,13,18,20H,7H2,1-2H3/t13-/m0/s1
InChI Key SJYKCNDMHBDJEC-ZDUSSCGKSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C17H16O6
Molecular Weight 316.30 g/mol
Exact Mass 316.09468823 g/mol
Topological Polar Surface Area (TPSA) 85.20 Ų
XlogP 2.10

Synonyms

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AKOS040760997
FS-8708

2D Structure

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2D Structure of 2',7-Dihydroxy-5,8-dimethoxyflavanone

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 98.43% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.63% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.60% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.93% 85.14%
CHEMBL2581 P07339 Cathepsin D 91.14% 98.95%
CHEMBL2535 P11166 Glucose transporter 90.22% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.55% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.17% 99.17%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 86.46% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.94% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.75% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 83.29% 93.99%
CHEMBL2056 P21728 Dopamine D1 receptor 81.91% 91.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.14% 97.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 81.07% 94.45%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 80.48% 94.03%
CHEMBL4208 P20618 Proteasome component C5 80.37% 90.00%

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.
Scutellaria barbata

Cross-Links

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PubChem 102004631
LOTUS LTS0200838
wikiData Q105254641