(4-Prop-1-en-2-ylcyclohexyl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Details

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Internal ID 0a9b438e-b497-486f-9b7f-c46185fb13a2
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives
IUPAC Name (4-prop-1-en-2-ylcyclohexyl)methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES (Canonical) CC(=C)C1CCC(CC1)COC(=O)C=CC2=CC(=C(C=C2)O)O
SMILES (Isomeric) CC(=C)C1CCC(CC1)COC(=O)C=CC2=CC(=C(C=C2)O)O
InChI InChI=1S/C19H24O4/c1-13(2)16-7-3-15(4-8-16)12-23-19(22)10-6-14-5-9-17(20)18(21)11-14/h5-6,9-11,15-16,20-21H,1,3-4,7-8,12H2,2H3
InChI Key SSVXLIRLGPMWSL-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) 66.80 Ų
XlogP 5.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (4-Prop-1-en-2-ylcyclohexyl)methyl 3-(3,4-dihydroxyphenyl)prop-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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.69% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 99.44% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.23% 96.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.58% 86.33%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.08% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.66% 89.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 90.06% 96.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.99% 94.45%
CHEMBL2581 P07339 Cathepsin D 88.71% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.25% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 85.04% 99.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.35% 96.95%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 84.13% 97.21%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.47% 95.89%
CHEMBL3194 P02766 Transthyretin 80.61% 90.71%

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.
Perilla frutescens

Cross-Links

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PubChem 70152895
LOTUS LTS0094486
wikiData Q105259992