p-Coumaric Acid Ethyl Ester - ≥98% , CAS No.7362-39-2

CAS: 7362-39-2 Cat. No.: E304519 Peso molecular: 192.21

GRADE & PURITY ≥98%

Synonyms

MS-2009 | ethyl (E)-p-hydroxycinnamate | Ethyl trans-4-hydroxycinnamateEthyl (E)-p-hydroxycinnamate | 2-Propenoic acid,3-(2-hydroxyphenyl)-,ethyl ester | Ethyl (2E)-3-(4-hydroxyphenyl)-2-propenoate # | ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate | 2-Propen

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

MS-2009 | ethyl (E)-p-hydroxycinnamate | Ethyl trans-4-hydroxycinnamateEthyl (E)-p-hydroxycinnamate | 2-Propenoic acid, 3-(2-hydroxyphenyl)-, ethyl ester | Ethyl (2E)-3-(4-hydroxyphenyl)-2-propenoate # | ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate | 2-Propen

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488191056
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191056
• Sonrisas canónicas: CCOC(=O)C=CC1=CC=C(C=C1)O
• IUPAC Name: ethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
• InChIKey: ZOQCEVXVQCPESC-VMPITWQZSA-N
• INCHI: 1S/C11H12O3/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8,12H,2H2,1H3/b8-5+
• Isómeros SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)O
• Peso molecular: 192.21
• Reaxy-Rn: 2691225
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2691225&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives
        • Level5 Hydroxycinnamic acid esters
          • Level6 Coumaric acid esters

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Hydroxycinnamic acid esters
• Direct Parent: Coumaric acid esters
• Alternative Parents: Coumaric acids and derivatives Cinnamic acid esters Styrenes Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Coumaric acid ester - Coumaric acid or derivatives - Cinnamic acid ester - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

CA1 Tclin Carbonic anhydrase 1 (1 Activities)

Discover Target: CA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase 2 (1 Activities)

Discover Target: CA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA12 Tclin Carbonic anhydrase 12 (1 Activities)

Discover Target: CA12

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA14 Tclin Carbonic anhydrase 14 (1 Activities)

Discover Target: CA14

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA9 Tclin Carbonic anhydrase 9 (1 Activities)

Discover Target: CA9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA7 Tclin Carbonic anhydrase 7 (1 Activities)

Discover Target: CA7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA14 Tclin Carbonic anhydrase XIV (1305 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC16A1 Tchem Monocarboxylate transporter 1 (146 Activities)

Discover Target: SLC16A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC16A7 Tchem Monocarboxylate transporter 2 (11 Activities)

Discover Target: SLC16A7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Ca7 Carbonic anhydrase VII (3 Activities)

Discover Target: Ca7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Athelia rolfsii (768 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 65-68 °C
• Peso molecular: 192.210 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 192.079 Da
• Monoisotopic Mass: 192.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 203.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referencias

1. Xiaohua Nie, Mengqing Chen, Chengyu Jin, Xiaoyu Zhou, Ningxiang Yu, Yuanchao Lu, Xianghe Meng.  (2025)  A comprehensive study of defatted Idesia polycarpa fruit: Phenolic profile and its relation with anti-inflammatory activity in seed, pulp, and whole fruit.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2025.106228]

2. Xiaochen Zhang, Jiahong Jian, Zisheng Luo, Guo Li, Yifeng Huang, Yue Wu, Dong Li, Li Li.  (2024)  Fabrication of edible nanocellulose chitosan bi-component film based on a novel “swell-permeate” approach.  CARBOHYDRATE POLYMERS,      [PMID:39245500] [10.1016/j.carbpol.2024.122632]

3. Xinjun He, Mengqiao Gao, Fukun Li, Zhiyang Tang, Jie Qu, Jinxing Long, Qiang Zeng, Xuehui Li.  (2025)  Catalytic hydrogenolysis of lignin under syngas: the enhancement on the Cβ-O bond cleavage with CO.  GREEN CHEMISTRY,      [PMID:] [10.1039/D5GC01618E]