Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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P691015-250mg
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250mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$132.90
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P691015-1g
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1g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$304.90
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|
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P691015-5g
|
5g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$1,014.90
|
|
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P691015-10g
|
10g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$1,757.90
|
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| Specifications & Purity | ≥97% |
|---|
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Linear 1,3-diarylpropanoids |
| Subclass | Chalcones and dihydrochalcones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2'-Hydroxychalcones |
| Alternative Parents | Cinnamylphenols Cinnamic acids and derivatives Dimethoxybenzenes Anisoles Aryl ketones Benzoyl derivatives Styrenes Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Acryloyl compounds Enones Hydrocarbon derivatives Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 2'-hydroxychalcone - Cinnamylphenol - Cinnamic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Methoxybenzene - Benzoyl - Phenoxy compound - Phenol ether - Styrene - Aryl ketone - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Ketone - Ether - Organic oxide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position. |
| External Descriptors | Not available |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| IUPAC Name | (E)-3-(3,4-dimethoxyphenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one |
|---|---|
| INCHI | InChI=1S/C17H16O4/c1-20-16-10-8-12(11-17(16)21-2)7-9-15(19)13-5-3-4-6-14(13)18/h3-11,18H,1-2H3/b9-7+ |
| InChIKey | MFLSRHQHCDTOGH-VQHVLOKHSA-N |
| Smiles | COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2O)OC |
| Isomeric SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O)OC |
| Molecular Weight | 284.31 |
| Reaxy-Rn | 1317609 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1317609&ln= |
| Molecular Weight | 284.310 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 284.105 Da |
| Monoisotopic Mass | 284.105 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 366.000 |
| 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 |