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Basic Description
| Synonyms | Dihydrokavain | Dihydrokawain | 587-63-3 | Marindinin | Kavain, dihydro- | Kawain, dihydro- | 7,8-Dihydrokawain | NW8ZGW9XRZ | UNII-NW8ZGW9XRZ | 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (6S)- | (+)-Dihydrokavain | CCRIS 9371 | 7,8-Dihydro-kawain | NSC 112163 | NSC-1 |
|---|---|
| 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
- Class Kavalactones
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Superclass
Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Kavalactones |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Kavalactones |
| Alternative Parents | Dihydropyranones Benzene and substituted derivatives Vinylogous esters Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Kavalactone - Dihydropyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carbonyl group - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as kavalactones. These are lactones, which is structurally characterized by a benzene ring and a pyranone moiety, linked to each other to form a 4-methoxy-6-(2-phenylethyl)-2H-pyran-2-one skeleton. |
| External Descriptors | Not available |
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Associated Targets(non-human)
Echinochloa crus-galli (3685 Activities)
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Fusarium solani (1274 Activities)
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Fusarium oxysporum (3998 Activities)
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Trichoderma viride (1263 Activities)
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Lactuca sativa (1092 Activities)
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Colletotrichum gloeosporioides (560 Activities)
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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 | (2S)-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one |
|---|---|
| INCHI | InChI=1S/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t12-/m0/s1 |
| InChIKey | VOOYTQRREPYRIW-LBPRGKRZSA-N |
| Smiles | COC1=CC(=O)OC(C1)CCC2=CC=CC=C2 |
| Isomeric SMILES | COC1=CC(=O)O[C@H](C1)CCC2=CC=CC=C2 |
| PubChem CID | 10220256 |
| Molecular Weight | 232.28 |
| Beilstein | 15362 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Specific Rotation[α] | [α]/D 29±2°, c = 0.5 in methanol |
|---|---|
| Molecular Weight | 232.270 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 232.11 Da |
| Monoisotopic Mass | 232.11 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 290.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
Customer Reviews
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