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trans-3-Hydroxycinnamic acid - 10mM in DMSO, high purity
Basic Description
Synonyms
3-Hydroxycinnamic acid | 14755-02-3 | M-COUMARIC ACID | 588-30-7 | 3-Coumaric acid | m-Hydroxycinnamic acid | (E)-3-(3-Hydroxyphenyl)acrylic acid | trans-3-Hydroxycinnamic acid | 3-(3-Hydroxyphenyl)acrylic acid | trans-3-Hydroxycinnamate | Cinnamic acid, m-hydroxy- | trans-3-c
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
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
Description
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(E)-3-(3-hydroxyphenyl)prop-2-enoic acid
INCHI
InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
InChIKey
KKSDGJDHHZEWEP-SNAWJCMRSA-N
Smiles
C1=CC(=CC(=C1)O)C=CC(=O)O
Isomeric SMILES
C1=CC(=CC(=C1)O)/C=C/C(=O)O
WGK Germany
3
Molecular Weight
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
196°C
Molecular Weight
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
Citations of This Product
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).
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,
181
(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).
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3 Citations