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ethyl trans-caffeate(Q5404446)

From Wikidata

chemical compound

Ethyl caffeate
3,4-Dihydroxycinnamic acid ethyl ester
ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Language	Label	Description	Also known as
default for all languages	No label defined
English	ethyl trans-caffeate	chemical compound	Ethyl caffeate 3,4-Dihydroxycinnamic acid ethyl ester ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Statements

type of chemical entity

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alkyl caffeate ester

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ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

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chemical structure

Ethyl caffeate.svg
615 × 270; 21 KB

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208.074±0dalton

1 reference

language of work or name

Ethyl caffeate(English)

19 October 2016

chemical formula

C₁₁H₁₂O₄

1 reference

language of work or name

Ethyl caffeate(English)

20 November 2016

canonical SMILES

CCOC(=O)C=CC1=CC(=C(C=C1)O)O

1 reference

language of work or name

Ethyl caffeate(English)

20 November 2016

isomeric SMILES

CCOC(=O)/C=C/C1=CC(=C(C=C1)O)O

1 reference

language of work or name

Ethyl caffeate(English)

20 November 2016

Berberis darwinii

1 reference

Secondary metabolites from marine organisms

Ligularia veitchiana

2 references

Sesquiterpenes and other constituents fromLigularia veitchiana

Eremophilanolides from the roots of Ligularia veitchiana

Tillandsia recurvata

1 reference

Chemical constituents from Tillandsia recurvata

Artemisia minor

2 references

Chemical Constituents of the Aerial Parts of Artemisia iwayomogi

Chemical constituents from the aerial parts of Artemisia minor.

Ligularia nelumbifolia

1 reference

Sinapyl alcohol derivatives and other constituents from Ligularia nelumbifolia

1 reference

Three angiotensin-converting enzyme inhibitors from Rabdosia coetsa

1 reference

Steroidal saponins from Smilax china and their anti-inflammatory activities

Matricaria chamomilla

1 reference

Sesquiterpene lactones and other constituents from Matricaria chamomilla L

Adenocaulon himalaicum

1 reference

Phenolic compounds of Aruncus dioicus and Adenocaulon adhaerescens

Camptotheca acuminata

1 reference

Studies on the Constituents ofCamptotheca AcuminataDecne, II. The Constituents of Fresh Fruits,

Erigeron breviscapus

1 reference

Chemical constituents from herbs of Erigeron breviscapus

Isodon sculponeatus

1 reference

Cytotoxic ent-Kaurane Diterpenoids from Isodon racemosa (Hemsl) Hara

Lespedeza bicolor

1 reference

New prenylated isoflavanones and other constituents of Lespedeza bicolor

Prunella vulgaris

1 reference

Chemical constituents of Prunella vulgaris

Salvia guaranitica

1 reference

Cirsiliol and caffeic acid ethyl ester, isolated from Salvia guaranitica, are competitive ligands for the central benzodiazepine receptors

Solanum melongena

2 references

Fungitoxic compounds from the roots of the eggplant stock.

Three New Phenolic Amides from the Roots of Eggplant (Solanum melongenaL.)

Tocoyena formosa

1 reference

Iridoids from Tocoyena formosa

Solanum campaniforme

1 reference

Antiophidic solanidane steroidal alkaloids from Solanum campaniforme

Xanthium sibiricum

1 reference

Bioactive Sesquiterpenes and Lignans from the Fruits of Xanthium sibiricum

Harpagophytum procumbens

1 reference

Analysis and stability of the constituents of Curcuma longa and Harpagophytum procumbens tinctures by HPLC-DAD and HPLC–ESI-MS

1 reference

Bioactive Phenolic Constituents from the Seeds of Pharbitis nil

Aconitum kongboense

1 reference

Chemical constituents of the aerial parts of Aconitum kongboense

Atractylodes macrocephala

1 reference

Chemical constituents of the aerial part of Atractylodes macrocephala

Cichorium endivia

2 references

Sesquiterpenoids and phenolics from roots of Cichorium endivia var. crispum.

Components of Cichorium glandulosum seeds

Cichorium glandulosum

1 reference

Components of Cichorium glandulosum seeds

Cichorium pumilum

1 reference

Components of Cichorium glandulosum seeds

Dysoxylum densiflorum

1 reference

Terpenoids from Dysoxylum densiflorum

Helichrysum arenarium

1 reference

New flavanone and other constituents of Helichrysum arenarium indigenous to China

Incarvillea delavayi

1 reference

Chemical constituents from Incarvillea delavayi

Incarvillea mairei

1 reference

Chemical constituents of Incarvillea mairei var. grandiflora

Incarvillea mairei var. grandiflora

1 reference

Chemical constituents of Incarvillea mairei var. grandiflora

Isodon eriocalyx

1 reference

Diterpenoids from isodon eriocalyx

1 reference

Contents from Plantago major

Saussurea laniceps

1 reference

Two New Lignan Glycosides fromSaussurea laniceps

1 reference

Anti-inflammatory Constituents from Solanum nigrum

Cyrtocymura scorpioides

1 reference

Sesquiterpene lactones from Vernonia scorpioides and their in vitro cytotoxicity.

Ziziphora clinopodioides

1 reference

Monoterpene Glucosides from Ziziphora clinopodioides (Labiatae)

Vincetoxicum shaanxiense

2 references

Chemical constituents from the roots of Actinidia chinensis

Chemical constituents from the roots of Biondia chinensis

Leptolobium bijugum

1 reference

Phenolic derivatives and terpenes from Acosmium bijugum

Adenocaulon adhaerescens

1 reference

Phenolic compounds of Aruncus dioicus and Adenocaulon adhaerescens

Prunus serrulata

1 reference

Phenolic compounds of the flowers of Cerasus serrulata

Mycelis muralis

1 reference

Minor sesquiterpene lactones from Lactuca virosa

Epicharis densiflora

1 reference

Terpenoids from Dysoxylum densiflorum

Chamomilla recutita

1 reference

Sesquiterpene lactones and other constituents from Matricaria chamomilla L

Agastache rugosa

1 reference

Chemical Constituents from the Aerial Parts of Agastache rugosa and Their Inhibitory Activities on Prostaglandin E2 Production in Lipopolysaccharide-Treated RAW 264.7 Macrophages

Perilla frutescens

1 reference

Anti-inflammatory constituents from Perilla frutescens on lipopolysaccharide-stimulated RAW264.7 cells

Cirsium japonicum

1 reference

Bioactive constituents of Cirsium japonicum var. australe

Ligularia fischerii

1 reference

A mechanistic study on the anti-cancer activity of ethyl caffeate in human ovarian cancer SKOV-3 cells

1 reference

Ethyl caffeate suppresses NF-kappaB activation and its downstream inflammatory mediators, iNOS, COX-2, and PGE2 in vitro or in mouse skin

has characteristic

1 reference

Identifiers

InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+

1 reference

language of work or name

Ethyl caffeate(English)

20 November 2016

WDKYDMULARNCIS-GQCTYLIASA-N

2 references

language of work or name

Ethyl caffeate(English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

reason for deprecated rank

applies to other chemical entity

intended subject of deprecated statement

ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

Global Substance Registration System

language of work or name

ethyl trans-caffeate(English)

20 November 2016

2 references

CAS Common Chemistry

31 December 2022

https://commonchemistry.cas.org/detail?cas_rn=66648-50-8

WDKYDMULARNCIS-GQCTYLIASA-N

based on heuristic

1 reference

language of work or name

(E)-Ethyl caffeate(English)

19 October 2016

2 references

language of work or name

Ethyl caffeate(English)

20 November 2016

matched by identifier from

WDKYDMULARNCIS-GQCTYLIASA-N

mapping relation type

2 references

language of work or name

ETHYL CAFFEATE(English)

20 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+

1 reference

language of work or name

ETHYL CAFFEATE(English)

20 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WDKYDMULARNCIS-GQCTYLIASA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WDKYDMULARNCIS-GQCTYLIASA-N

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

WDKYDMULARNCIS-GQCTYLIASA-N

DSSTOX compound identifier

DTXCID801014480

0 references

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WDKYDMULARNCIS-GQCTYLIASA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WDKYDMULARNCIS-GQCTYLIASA-N

2 references

Global Substance Registration System

language of work or name

ethyl trans-caffeate(English)

20 November 2016

matched by identifier from

WDKYDMULARNCIS-GQCTYLIASA-N

Probes And Drugs ID

0 references

0 references

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Microsoft Academic ID

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PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4GQQ(English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4PWG(English)

19 October 2016

Sitelinks

Wikipedia(6 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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