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3,4,5-Trimethoxycinnamic acid - 10mM in DMSO, high purity , CAS No.90-50-6
Basic Description
Synonyms
3,4,5-TRIMETHOXYCINNAMIC ACID | 90-50-6 | 20329-98-0 | O-Methylsinapic acid | 3-(3,4,5-trimethoxyphenyl)acrylic acid | SINAPIC ACID METHYL ETHER | 3,4,5-Trimethoxyphenylacrylic acid | (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid | (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic
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
Coumaric acids and derivatives
Alternative Parents
Cinnamic acids Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamic acid - Coumaric acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
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.
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-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
INCHI
InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+
InChIKey
YTFVRYKNXDADBI-SNAWJCMRSA-N
Smiles
COC1=CC(=CC(=C1OC)OC)C=CC(=O)O
Isomeric SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O
WGK Germany
2
Molecular Weight
238.24
Beilstein
10509
Reaxy-Rn
1537834
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1537834&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
126-128°C
Molecular Weight
238.240 g/mol
XLogP3
1.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
238.084 Da
Monoisotopic Mass
238.084 Da
Topological Polar Surface Area
65.000 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
262.000
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.
Yi Ou, Zonglin You, Min Yao, Yingfan Cao, Xiu Xue, Min Chen, Rihui Wu, Lishe Gan, Dongli Li, Panpan Wu, Xuetao Xu, Wingleung Wong, Vincent Kam Wai Wong, Wenfeng Liu, Jiming Ye, Jingwei Jin.
(2023)
Naproxen-Derived New Compound Inhibits the NF-κB, MAPK and PI3K/Akt Signaling Pathways Synergistically with Resveratrol in RAW264.7 Cells. MOLECULES,
28
(8):
(3395).
2.
Denghao Ouyang, Hongmei Chen, Nan Liu, Jingzhi Zhang, Xuebing Zhao.
(2022)
Insight into the negative effects of lignin on enzymatic hydrolysis of cellulose for biofuel production via selective oxidative delignification and inhibitive actions of phenolic model compounds. RENEWABLE ENERGY,
185
(196).
3.
Ning-Ning ZHAO, Zhi-Qiang LIU, Mei-Ling FAN, Zi-Feng PI, Feng-Rui SONG, Shu LIU.
(2021)
A feasible processing-omics strategy for comprehensive evaluation of mechanisms of chemical transformation in processing Polygalae Radix. CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,
49
(81).
4.
Tiantian Zhao, Ningning Zhao, Junpeng Xing, Zhong Zheng, Zhiqiang Liu, Shu Liu.
(2024)
A step-by-step progressive strategy exploring whole metabolic profiles in vivo for Polygalae Radix with/without licorice. PHYTOCHEMICAL ANALYSIS,
5.
Zuwei Yu, Xue Zhang, Shiyang Li, Jun Yang, Muci Wu, Qian Wu, Jingyi Wang.
(2024)
Characterization of feruloylated arabinoxylan - acorn starch double network gel composite film and its application in postharvest preservation of Agaricus bisporus. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,
271
(132571).
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5 Citations