(+)-Kavain - ≥98% , CAS No.500-64-1

CAS: 500-64-1 Cat. No.: K340139 분자식: C₁₄H₁₄O₃ 분자량: 230.3 Beilstein Registry Number: 177877

GRADE & PURITY ≥98%

Synonyms

(R)-(+)-Kavain | Kavaform (TN) | (6R)-4-methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one | (+)-Kavain | DTXCID3013595 | kavaine | CHEBI:92164 | Tox21_200907 | DTXSID5033595 | HMS2095J15 | AC-35093 | KAWAIN [MI] | 2H-Pyran-2-one,6-dihydro-4-methoxy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Kavain (+/-), a lipophilic kavapyrone, has been originally extracted from|Piper methysticum|. This compound has been shown to significantly antagonize dopamine depletion in murine striatal neurons. Additional studies report that Kavain (+/-) impairs vascular smooth muscle contraction via inhibition of Ca|+|channels, causing relaxation in precontracted murine ileum, airways, and aortic rings. Furthermore, at high concentrations, this agent has been noted to display neurotoxic characteristics.

Specifications

동의어

(R)-(+)-Kavain | Kavaform (TN) | (6R)-4-methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one | (+)-Kavain | DTXCID3013595 | kavaine | CHEBI:92164 | Tox21_200907 | DTXSID5033595 | HMS2095J15 | AC-35093 | KAWAIN [MI] | 2H-Pyran-2-one,6-dihydro-4-methoxy

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

Pubchem Sid

504763359

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763359

정식 스마일

COC1=CC(=O)OC(C1)C=CC2=CC=CC=C2

IUPAC Name

(2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one

InChIKey

XEAQIWGXBXCYFX-GUOLPTJISA-N

INCHI

1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1

이성체 SMILES

COC1=CC(=O)O[C@H](C1)/C=C/C2=CC=CC=C2

WGK 독일

3

RTECS

UQ0518000

분자량

230.3

Beilstein

177877

Reaxy-Rn

84886

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=84886&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Kavalactones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Kavalactones
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Kavalactones
• Alternative Parents: Styrenes Dihydropyranones Vinylogous esters Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Kavalactone - Styrene - Dihydropyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Vinylogous ester - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• 설명: 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: Polyketides - alpha-Pyrones

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.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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GMNN Tbio Geminin (128009 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

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관련 대상(비인간)

ampC Beta-lactamase AmpC (62480 Activities)

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Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Echinochloa crus-galli (3685 Activities)

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Fusarium solani (1274 Activities)

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Plasmodium falciparum (966862 Activities)

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Fusarium oxysporum (3998 Activities)

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Trichoderma viride (1263 Activities)

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PC-12 (7051 Activities)

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Lactuca sativa (1092 Activities)

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Colletotrichum gloeosporioides (560 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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PA Polymerase acidic protein (806 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in DMSO (>25 mg/mL), DMF (>25 mg/mL), and ethanol (5 mg/mL warm).
• 굴절률: n20D1.57
• 끓는점(°C): 432.64° C at 760 mmHg (Predicted)
• 녹는점(°C): 105.5° C
• 분자량: 230.260 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.094 Da
• Monoisotopic Mass: 230.094 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 324.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

자주 묻는 질문

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.