7-Hydroxy-2-(2-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one

Details

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Internal ID cfd306c7-6933-42fc-9402-e6fded1d6ddb
Taxonomy Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 5-O-methylated flavonoids
IUPAC Name 7-hydroxy-2-(2-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
SMILES (Canonical) COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=CC=C3O)O
SMILES (Isomeric) COC1=CC(=CC2=C1C(=O)CC(O2)C3=CC=CC=C3O)O
InChI InChI=1S/C16H14O5/c1-20-14-6-9(17)7-15-16(14)12(19)8-13(21-15)10-4-2-3-5-11(10)18/h2-7,13,17-18H,8H2,1H3
InChI Key VRKLYIMHAUMSFM-UHFFFAOYSA-N
Popularity 0 references 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 2.20

Synonyms

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AKOS040736936

2D Structure

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2D Structure of 7-Hydroxy-2-(2-hydroxyphenyl)-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 98.60% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.08% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.62% 96.09%
CHEMBL2581 P07339 Cathepsin D 93.95% 98.95%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 93.46% 85.14%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 91.88% 99.23%
CHEMBL2535 P11166 Glucose transporter 90.37% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.96% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.49% 99.17%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.31% 89.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.15% 93.99%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.32% 94.00%
CHEMBL4208 P20618 Proteasome component C5 84.16% 90.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 82.97% 97.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.55% 95.89%

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 amabilis

Cross-Links

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PubChem 142748970
LOTUS LTS0094941
wikiData Q105291830