5,7,2',3'-Tetramethoxyflavanone

Details

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Internal ID 4d09b29b-0a15-4cb5-9297-08462f7af09f
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name 2-(2,3-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=CC=CC(=C1OC)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC
SMILES (Isomeric) COC1=CC=CC(=C1OC)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC
InChI InChI=1S/C19H20O6/c1-21-11-8-16(23-3)18-13(20)10-15(25-17(18)9-11)12-6-5-7-14(22-2)19(12)24-4/h5-9,15H,10H2,1-4H3
InChI Key LISGXNMNBMLGFM-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C19H20O6
Molecular Weight 344.40 g/mol
Exact Mass 344.12598835 g/mol
Topological Polar Surface Area (TPSA) 63.20 Ų
XlogP 2.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5,7,2',3'-Tetramethoxyflavanone

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.46% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.53% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.84% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.53% 86.33%
CHEMBL2535 P11166 Glucose transporter 92.57% 98.75%
CHEMBL2581 P07339 Cathepsin D 90.26% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.21% 85.14%
CHEMBL240 Q12809 HERG 88.43% 89.76%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.19% 99.23%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 88.09% 94.80%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 87.39% 97.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.93% 95.89%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 86.84% 94.03%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.81% 93.99%
CHEMBL4355 O14976 Serine/threonine-protein kinase GAK 85.98% 89.32%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.96% 94.00%
CHEMBL1907 P15144 Aminopeptidase N 85.89% 93.31%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.98% 92.62%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.82% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.69% 94.45%
CHEMBL4247 Q9UM73 ALK tyrosine kinase receptor 83.69% 96.86%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.27% 97.09%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 81.59% 99.15%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.61% 99.17%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 80.57% 100.00%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 80.06% 100.00%

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.
Andrographis paniculata

Cross-Links

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PubChem 21579286
LOTUS LTS0081158
wikiData Q105152346