(2R)-5-hydroxy-7-methoxy-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one

Details

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Internal ID 157ba106-f430-4385-ad7c-65e1bbbdf633
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
IUPAC Name (2R)-5-hydroxy-7-methoxy-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=CC(=C2C(=O)CC(OC2=C1)C3=C(C=C(C=C3OC)OC)OC)O
SMILES (Isomeric) COC1=CC(=C2C(=O)C[C@@H](OC2=C1)C3=C(C=C(C=C3OC)OC)OC)O
InChI InChI=1S/C19H20O7/c1-22-10-5-12(20)18-13(21)9-17(26-16(18)8-10)19-14(24-3)6-11(23-2)7-15(19)25-4/h5-8,17,20H,9H2,1-4H3/t17-/m1/s1
InChI Key JEXUYOSYJIRTIF-QGZVFWFLSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H20O7
Molecular Weight 360.40 g/mol
Exact Mass 360.12090297 g/mol
Topological Polar Surface Area (TPSA) 83.40 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-5-hydroxy-7-methoxy-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one

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 98.04% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.44% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.56% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.29% 94.00%
CHEMBL4208 P20618 Proteasome component C5 91.13% 90.00%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 90.60% 99.15%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.96% 85.14%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 88.49% 99.23%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.76% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.64% 99.17%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.18% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 85.94% 92.94%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 85.36% 92.62%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.72% 89.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 84.72% 91.07%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.34% 86.33%
CHEMBL2581 P07339 Cathepsin D 84.30% 98.95%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.83% 97.14%
CHEMBL2535 P11166 Glucose transporter 83.30% 98.75%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 83.13% 92.68%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.64% 97.09%
CHEMBL3880 P07900 Heat shock protein HSP 90-alpha 81.40% 96.21%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.02% 90.71%

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.
Artocarpus heterophyllus
Artocarpus integer

Cross-Links

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PubChem 162852231
LOTUS LTS0074434
wikiData Q105126493