8-Methoxy-7-(3-methylbut-1-enoxy)chromen-2-one

Details

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Internal ID ef2c028d-6417-4a2b-8350-5647db2b25f9
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives
IUPAC Name 8-methoxy-7-(3-methylbut-1-enoxy)chromen-2-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H16O4/c1-10(2)8-9-18-12-6-4-11-5-7-13(16)19-14(11)15(12)17-3/h4-10H,1-3H3
InChI Key ZXTABPBVPHRGPL-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H16O4
Molecular Weight 260.28 g/mol
Exact Mass 260.10485899 g/mol
Topological Polar Surface Area (TPSA) 44.80 Ų
XlogP 3.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8-Methoxy-7-(3-methylbut-1-enoxy)chromen-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
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 90.88% 85.30%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.31% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.11% 94.45%
CHEMBL2581 P07339 Cathepsin D 88.16% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.66% 94.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.45% 96.00%
CHEMBL2535 P11166 Glucose transporter 83.16% 98.75%
CHEMBL1255126 O15151 Protein Mdm4 83.04% 90.20%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.92% 99.23%
CHEMBL3401 O75469 Pregnane X receptor 81.77% 94.73%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 80.42% 94.03%

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 86145192
LOTUS LTS0088126
wikiData Q105385759