2-(3,5-Dihydroxyphenyl)ethenyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Details

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Internal ID 1d809975-593c-400b-a95b-eba40b678d77
Taxonomy Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives
IUPAC Name 2-(3,5-dihydroxyphenyl)ethenyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
SMILES (Canonical) C1=CC(=C(C=C1C=CC(=O)OC=CC2=CC(=CC(=C2)O)O)O)O
SMILES (Isomeric) C1=CC(=C(C=C1C=CC(=O)OC=CC2=CC(=CC(=C2)O)O)O)O
InChI InChI=1S/C17H14O6/c18-13-7-12(8-14(19)10-13)5-6-23-17(22)4-2-11-1-3-15(20)16(21)9-11/h1-10,18-21H
InChI Key FOWPKLFOIDTRMY-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H14O6
Molecular Weight 314.29 g/mol
Exact Mass 314.07903816 g/mol
Topological Polar Surface Area (TPSA) 107.00 Ų
XlogP 2.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-(3,5-Dihydroxyphenyl)ethenyl 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 98.45% 91.11%
CHEMBL3194 P02766 Transthyretin 96.23% 90.71%
CHEMBL1951 P21397 Monoamine oxidase A 95.59% 91.49%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.22% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.16% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.06% 96.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.63% 89.00%
CHEMBL2085 P14174 Macrophage migration inhibitory factor 85.69% 80.78%
CHEMBL1929 P47989 Xanthine dehydrogenase 85.36% 96.12%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.94% 99.15%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 82.72% 91.71%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.95% 99.17%
CHEMBL4208 P20618 Proteasome component C5 81.16% 90.00%

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
Plectranthus crassus

Cross-Links

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PubChem 78384838
LOTUS LTS0172102
wikiData Q104999005