Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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A607746-1mg
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1mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$2,000.90
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A607746-5mg
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5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$4,000.90
|
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| Synonyms | 2-Propenoic acid, 3-(4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-, (E)- | ArtepillinC | Artepillin C | AT37734 | artepillin | FS-6839 | SCHEMBL1229229 | NSC718732 | NSC-718732 | (E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid | CCRIS |
|---|---|
| Specifications & Purity | Moligand™ |
| Grade | Moligand™ |
| Action Type | ACTIVATOR |
| Mechanism of action | Activator of TRPA1 |
Taxonomy Tree
| Kingdom | Organic compounds |
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| 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 Phenols 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 - Phenol - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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 | Not available |
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| IUPAC Name | (E)-3-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]prop-2-enoic acid |
|---|---|
| INCHI | InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21)/b10-7+ |
| InChIKey | KABCFARPAMSXCC-JXMROGBWSA-N |
| Smiles | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C=CC(=O)O)C |
| Isomeric SMILES | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)/C=C/C(=O)O)C |
| Alternate CAS | 72944-19-5 |
| PubChem CID | 5472440 |
| NSC Number | 718732 |
| MeSH Entry Terms | 3-(4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-2-propenoic acid;artepillin C |
| Molecular Weight | 300.400 g/mol |
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| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| Exact Mass | 300.173 Da |
| Monoisotopic Mass | 300.173 Da |
| Topological Polar Surface Area | 57.500 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 421.000 |
| 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 |