6,8-Dimethoxy-7-(3-methyl-2-butenyloxy)coumarin

Details

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Internal ID 9d56663a-b82f-49fa-ada1-803ec9d5d040
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives
IUPAC Name 6,8-dimethoxy-7-(3-methylbut-2-enoxy)chromen-2-one
SMILES (Canonical) CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)C
SMILES (Isomeric) CC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)C
InChI InChI=1S/C16H18O5/c1-10(2)7-8-20-15-12(18-3)9-11-5-6-13(17)21-14(11)16(15)19-4/h5-7,9H,8H2,1-4H3
InChI Key HYLMQFRADKVWGK-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C16H18O5
Molecular Weight 290.31 g/mol
Exact Mass 290.11542367 g/mol
Topological Polar Surface Area (TPSA) 54.00 Ų
XlogP 3.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 6,8-Dimethoxy-7-(3-methyl-2-butenyloxy)coumarin

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 95.44% 91.11%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.12% 94.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.45% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 91.11% 94.73%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.87% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.84% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.00% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.43% 96.00%
CHEMBL2581 P07339 Cathepsin D 86.25% 98.95%
CHEMBL4208 P20618 Proteasome component C5 85.74% 90.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 85.22% 85.14%
CHEMBL1937 Q92769 Histone deacetylase 2 84.72% 94.75%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 84.37% 97.21%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.22% 96.95%
CHEMBL2535 P11166 Glucose transporter 81.66% 98.75%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 81.27% 94.03%

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.
Pterocaulon lanatum
Pterocaulon redolens
Pteronia ciliata

Cross-Links

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PubChem 13989556
LOTUS LTS0102058
wikiData Q104168522