trans-3-Hydroxycinnamic acid - 10mM in DMSO , CAS No.14755-02-3

CAS: 14755-02-3 Cat. No.: T421722 분자식: C₉H₈O₃ 분자량: 164.16 Beilstein Registry Number: 2084229 EC 번호: 604-589-0

GRADE & PURITY 10mM in DMSO

Synonyms

Cinnamic acid, 3-hydroxy- | trans-3-Hydroxycinnamic acid, 99% | 3-(3-hydroxyphenyl)-2-propenoic acid | 3-(3-Hydroxyphenyl)acrylsaeure | bmse000093 | Q6712039 | (E)-3-(3-hydroxyphenyl)prop-2-enoic acid | LS-13594 | HY-113357 | (2E)-3-(3-hydroxyphenyl)prop-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

Cinnamic acid, 3-hydroxy- | trans-3-Hydroxycinnamic acid, 99% | 3-(3-hydroxyphenyl)-2-propenoic acid | 3-(3-Hydroxyphenyl)acrylsaeure | bmse000093 | Q6712039 | (E)-3-(3-hydroxyphenyl)prop-2-enoic acid | LS-13594 | HY-113357 | (2E)-3-(3-hydroxyphenyl)prop-

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• Pubchem Sid: 528770595
• 정식 스마일: C1=CC(=CC(=C1)O)C=CC(=O)O
• IUPAC Name: (E)-3-(3-hydroxyphenyl)prop-2-enoic acid
• InChIKey: KKSDGJDHHZEWEP-SNAWJCMRSA-N
• INCHI: 1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
• 이성체 SMILES: C1=CC(=CC(=C1)O)/C=C/C(=O)O
• WGK 독일: 3
• 분자량: 164.16
• Beilstein: 2084229
• Reaxy-Rn: 2690254
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2690254&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxycinnamic acids
• Alternative Parents: Coumaric acids Cinnamic acids Styrenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid - Coumaric acid - Coumaric acid or derivatives - Hydroxycinnamic acid - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroxycinnamic acids. These are compounds containing an cinnamic acid where the benzene ring is hydroxylated.
• External Descriptors: 3-coumaric acid

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

관련 대상(인간)

APP Tclin Amyloid-beta A4 protein (8510 Activities)

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SRR Tbio Serine racemase (249 Activities)

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SLC16A1 Tchem Monocarboxylate transporter 1 (146 Activities)

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DAO Tchem D-amino-acid oxidase (802 Activities)

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DDO Tchem D-aspartate oxidase (120 Activities)

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SLC16A7 Tchem Monocarboxylate transporter 2 (11 Activities)

Discover Target: SLC16A7

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관련 대상(비인간)

Cryz Quinone oxidoreductase (288 Activities)

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HD1 Histone deacetylase (38 Activities)

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Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

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MAL62 Alpha-glucosidase MAL62 (106 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Mus musculus (284745 Activities)

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RAW264.7 (28094 Activities)

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RBL-2H3 (1162 Activities)

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Radish (446 Activities)

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Mycobacterium tuberculosis variant bovis BCG (1626 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 196°C
• 분자량: 164.160 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 164.047 Da
• Monoisotopic Mass: 164.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 186.000
• 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

참고 문헌

1. Li Min, Wang Yayao, Xiao Jianxing, Yan Xingfu, Liu Bingru.  (2023)  Allelopathic inhibition effects and mechanism of phenolic acids to Microcystis aeruginosa.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  30  (15): (45388-45397).  [PMID:36705822] [10.1007/s11356-022-24992-5]

2. Zhi-Ming Wu, Yu Cao, Jin-Han Guo, Xiu-Qin Fang, Cheng-Mei Liu.  (2022)  Bio-based poly(vinyl benzoxazine) derived from 3-hydroxycinnamic acid— An intrinsically green flame-retardant polymer free of both halogen and phosphorus.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2022.105430]

3. Teng Sun, Haiping Zhang, Zhe Dong, Zengshe Liu, Mingming Zheng.  (2020)  Ultrasonic-promoted enzymatic preparation, identification and multi-active studies of nature-identical phenolic acid glycerol derivatives.  RSC Advances,  10  (19): (11139-11147).  [PMID:35495308] [10.1039/C9RA09830E]