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Basic Description
| Synonyms | 2-Methoxycinnamic acid | 1011-54-7 | 6099-03-2 | trans-2-Methoxycinnamic acid | 3-(2-Methoxyphenyl)acrylic acid | o-Methoxycinnamic acid | (E)-3-(2-Methoxyphenyl)acrylic acid | (E)-o-Methoxycinnamic acid | (2E)-3-(2-methoxyphenyl)prop-2-enoic acid | Cinnamic acid, o-methox |
|---|---|
| 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
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level5 Coumaric acids and derivatives
- Level6 Coumaric acids
- Level5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Class
Cinnamic acids and derivatives
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Superclass
Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Cinnamic acids and derivatives |
| Subclass | Hydroxycinnamic acids and derivatives |
| Intermediate Tree Nodes | Coumaric acids and derivatives |
| Direct Parent | Coumaric acids |
| 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 - 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. These are aromatic compounds containing a cinnamic acid moiety hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring. |
| External Descriptors | Not available |
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Associated Targets(Human)
SLCO1B1
Tchem
Solute carrier organic anion transporter family member 1B1 (2672 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SLCO1B3
Tchem
Solute carrier organic anion transporter family member 1B3 (2517 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | (E)-3-(2-methoxyphenyl)prop-2-enoic acid |
|---|---|
| INCHI | InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+ |
| InChIKey | FEGVSPGUHMGGBO-VOTSOKGWSA-N |
| Smiles | COC1=CC=CC=C1C=CC(=O)O |
| Isomeric SMILES | COC1=CC=CC=C1/C=C/C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 178.18 |
| Beilstein | 2209714 |
| Reaxy-Rn | 2209712 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209712&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Melt Point(°C) | 183-187°C |
|---|---|
| Molecular Weight | 178.180 g/mol |
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 178.063 Da |
| Monoisotopic Mass | 178.063 Da |
| Topological Polar Surface Area | 46.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 198.000 |
| 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. 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). |
| 2. Mingyong Du, Caili Dai, Ang Chen, Xuepeng Wu, Yuyang Li, Yifei Liu, Weitao Li, Mingwei Zhao. (2015) Investigation on the aggregation behavior of photo-responsive system composed of 1-hexadecyl-3-methylimidazolium bromide and 2-methoxycinnamic acid. RSC Advances, 5 (84): (68369-68377). |
| 3. Xiaoxue Wu, Jiao He, Huarong Xu, Kaishun Bi, Qing Li. (2014) Quality assessment of Cinnamomi Ramulus by the simultaneous analysis of multiple active components using high-performance thin-layer chromatography and high-performance liquid chromatography. JOURNAL OF SEPARATION SCIENCE, 37 (18): (2490-2498). |
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