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

Details

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Internal ID 43c4df7c-d1c2-4a66-a988-b69dd01bb636
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids
IUPAC Name (2R)-2-(2,4-dimethoxyphenyl)-7-hydroxy-5-methoxy-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=CC(=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)O)OC
SMILES (Isomeric) COC1=CC(=C(C=C1)[C@H]2CC(=O)C3=C(O2)C=C(C=C3OC)O)OC
InChI InChI=1S/C18H18O6/c1-21-11-4-5-12(14(8-11)22-2)15-9-13(20)18-16(23-3)6-10(19)7-17(18)24-15/h4-8,15,19H,9H2,1-3H3/t15-/m1/s1
InChI Key JVUGHKAZGNYYCA-OAHLLOKOSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H18O6
Molecular Weight 330.30 g/mol
Exact Mass 330.11033829 g/mol
Topological Polar Surface Area (TPSA) 74.20 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-2-(2,4-dimethoxyphenyl)-7-hydroxy-5-methoxy-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 97.53% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.76% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.93% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.99% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 90.83% 99.23%
CHEMBL2581 P07339 Cathepsin D 89.83% 98.95%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.73% 95.89%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 89.48% 99.15%
CHEMBL2535 P11166 Glucose transporter 89.36% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.15% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.96% 99.17%
CHEMBL4208 P20618 Proteasome component C5 88.85% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.48% 94.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.96% 97.09%
CHEMBL1907 P15144 Aminopeptidase N 86.19% 93.31%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 85.23% 92.62%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.96% 89.00%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 81.57% 100.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 81.03% 97.14%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 80.18% 93.40%

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.
Prunus cerasus

Cross-Links

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PubChem 163048983
LOTUS LTS0097404
wikiData Q105135962