[4-(5-Acetyl-2-methoxyphenyl)-2-methylbut-2-enyl] 2-methylbut-2-enoate

Details

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Internal ID 4d7cc329-28f1-4c76-9681-9606db82eb7a
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
IUPAC Name [4-(5-acetyl-2-methoxyphenyl)-2-methylbut-2-enyl] 2-methylbut-2-enoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H24O4/c1-6-14(3)19(21)23-12-13(2)7-8-17-11-16(15(4)20)9-10-18(17)22-5/h6-7,9-11H,8,12H2,1-5H3
InChI Key UCCITPSMRQQWHR-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H24O4
Molecular Weight 316.40 g/mol
Exact Mass 316.16745924 g/mol
Topological Polar Surface Area (TPSA) 52.60 Ų
XlogP 4.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of [4-(5-Acetyl-2-methoxyphenyl)-2-methylbut-2-enyl] 2-methylbut-2-enoate

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
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.82% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.00% 96.09%
CHEMBL1255126 O15151 Protein Mdm4 92.51% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.47% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.43% 96.00%
CHEMBL2535 P11166 Glucose transporter 92.13% 98.75%
CHEMBL4208 P20618 Proteasome component C5 91.88% 90.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.46% 91.11%
CHEMBL3492 P49721 Proteasome Macropain subunit 84.18% 90.24%
CHEMBL3401 O75469 Pregnane X receptor 83.55% 94.73%
CHEMBL340 P08684 Cytochrome P450 3A4 82.38% 91.19%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.04% 95.56%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 81.44% 97.21%
CHEMBL2443 P49862 Kallikrein 7 80.47% 94.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.10% 91.07%

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.
Stomatanthes corumbensis

Cross-Links

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PubChem 162957042
LOTUS LTS0069658
wikiData Q105269811