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

Details

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Internal ID a18ace2f-9cb2-443a-876a-ebf7e6048a27
Taxonomy Phenylpropanoids and polyketides > Neoflavonoids > Neoflavans
IUPAC Name 5-hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C17H16O5/c1-20-11-5-3-10(4-6-11)13-9-16(19)22-15-8-12(21-2)7-14(18)17(13)15/h3-8,13,18H,9H2,1-2H3
InChI Key GHTMZKMSGXXDAX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H16O5
Molecular Weight 300.30 g/mol
Exact Mass 300.09977361 g/mol
Topological Polar Surface Area (TPSA) 65.00 Ų
XlogP 2.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-Hydroxy-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-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 99.14% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 95.03% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.99% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.77% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.00% 85.14%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 92.12% 99.15%
CHEMBL2581 P07339 Cathepsin D 91.81% 98.95%
CHEMBL4208 P20618 Proteasome component C5 91.54% 90.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.26% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.92% 99.17%
CHEMBL4040 P28482 MAP kinase ERK2 87.60% 83.82%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.36% 95.89%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.00% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.19% 86.33%
CHEMBL2535 P11166 Glucose transporter 83.39% 98.75%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.35% 94.45%
CHEMBL1907 P15144 Aminopeptidase N 83.28% 93.31%
CHEMBL241 Q14432 Phosphodiesterase 3A 80.40% 92.94%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 53839046
LOTUS LTS0165192
wikiData Q105008716