8-(4-Hydroxy-3-methylbut-2-enyl)-7-(3-methylbut-2-enoxy)chromen-2-one

Details

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Internal ID fefcebac-5dce-4918-bf6c-6b3f5ea9d038
Taxonomy Phenylpropanoids and polyketides > Coumarins and derivatives
IUPAC Name 8-(4-hydroxy-3-methylbut-2-enyl)-7-(3-methylbut-2-enoxy)chromen-2-one
SMILES (Canonical) CC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)CC=C(C)CO)C
SMILES (Isomeric) CC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)CC=C(C)CO)C
InChI InChI=1S/C19H22O4/c1-13(2)10-11-22-17-8-5-15-6-9-18(21)23-19(15)16(17)7-4-14(3)12-20/h4-6,8-10,20H,7,11-12H2,1-3H3
InChI Key SYZQWDWNRPJWLK-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C19H22O4
Molecular Weight 314.40 g/mol
Exact Mass 314.15180918 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 8-(4-Hydroxy-3-methylbut-2-enyl)-7-(3-methylbut-2-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
CHEMBL1951 P21397 Monoamine oxidase A 93.08% 91.49%
CHEMBL3401 O75469 Pregnane X receptor 92.33% 94.73%
CHEMBL2581 P07339 Cathepsin D 91.83% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.65% 94.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 89.39% 96.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.19% 99.17%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 86.84% 89.34%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.80% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.82% 86.33%
CHEMBL3492 P49721 Proteasome Macropain subunit 83.44% 90.24%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.28% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.12% 99.23%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.75% 91.11%

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.
Philotheca spicata

Cross-Links

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PubChem 163067848
LOTUS LTS0063439
wikiData Q105263898