3-(4-Hydroxy-3-methoxyphenyl)prop-2-enyl dec-2-en-4-ynoate

Details

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Internal ID cd041d8f-b92c-4a2f-96a3-cb9c1cbbb1f8
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl dec-2-en-4-ynoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H24O4/c1-3-4-5-6-7-8-9-12-20(22)24-15-10-11-17-13-14-18(21)19(16-17)23-2/h9-14,16,21H,3-6,15H2,1-2H3
InChI Key SJQLPYXKRCHKGP-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H24O4
Molecular Weight 328.40 g/mol
Exact Mass 328.16745924 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 5.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3-(4-Hydroxy-3-methoxyphenyl)prop-2-enyl dec-2-en-4-ynoate

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 98.57% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 97.06% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 96.89% 96.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.59% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.40% 99.17%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.07% 95.56%
CHEMBL3194 P02766 Transthyretin 91.01% 90.71%
CHEMBL1951 P21397 Monoamine oxidase A 88.23% 91.49%
CHEMBL2581 P07339 Cathepsin D 88.04% 98.95%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 86.76% 91.71%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 86.61% 89.62%
CHEMBL2535 P11166 Glucose transporter 84.61% 98.75%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 84.28% 96.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.59% 94.45%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.73% 89.00%
CHEMBL3401 O75469 Pregnane X receptor 80.12% 94.73%

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.
Achillea ageratifolia

Cross-Links

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PubChem 163036231
LOTUS LTS0167367
wikiData Q105254485