Cardamonin - ≥98% , CAS No.19309-14-9

CAS: 19309-14-9 Cat. No.: C275625 분자식: C₁₆H₁₄O₄ 분자량: 270.28 EC 번호: 663-565-8

등급 & 순도 ≥98%

Synonyms

(E)-Cardamomin; (E)-Alpinetin chalcone | 2',4'-dihydroxy-6'-methoxychalcone | Cardamonin | 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)- | MFCD00238554 | NCGC00180767-02!(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one |

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

개요

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

사양

동의어

(E)-Cardamomin; (E)-Alpinetin chalcone | 2',4'-dihydroxy-6'-methoxychalcone | Cardamonin | 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenyl-, (2E)- | MFCD00238554 | NCGC00180767-02!(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one |

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

Anticancer, anti-inflammatory spice-derived chalcone analog. Shown to supress numerous signaling pathways including TNF-α, COX-2, Wnt/β-catenin and NF-κB.

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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작업 유형

ANTAGONIST

참고

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

순수함

≥98%

이름과 식별자

Pubchem Sid

508813323

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813323

정식 스마일

COC1=CC(=CC(=C1C(=O)C=CC2=CC=CC=C2)O)O

IUPAC Name

(E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one

InChIKey

NYSZJNUIVUBQMM-BQYQJAHWSA-N

INCHI

1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+

이성체 SMILES

COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=CC=C2)O)O

분자량

270.28

Reaxy-Rn

1990785

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1990785&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: 2'-Hydroxychalcones
• Alternative Parents: Cinnamylphenols Methoxyphenols Styrenes Resorcinols Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Aryl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Acryloyl compounds Enones Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2'-hydroxychalcone - Cinnamylphenol - Methoxyphenol - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Resorcinol - Styrene - Aryl ketone - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• 설명: 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: Chalcones and dihydrochalcones

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)

KCNA3 Tclin Potassium voltage-gated channel subfamily A member 3 (2 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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KCNA3 Tclin Voltage-gated potassium channel subunit Kv1.3 (1067 Activities)

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MAPK9 Tchem c-Jun N-terminal kinase 2 (4655 Activities)

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MAPK8 Tchem c-Jun N-terminal kinase 1 (5038 Activities)

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AGS (1999 Activities)

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CCRF-CEM (65223 Activities)

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DLD-1 (17511 Activities)

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PANC-1 (6144 Activities)

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HCT-116 (91556 Activities)

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HepG2 (196354 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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TNFRSF10B Tbio Tumor necrosis factor receptor superfamily member 10B (15 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

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APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

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MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

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관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

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Leishmania amazonensis (3813 Activities)

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Schistosoma mansoni (6170 Activities)

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RAW264.7 (28094 Activities)

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Dengue virus type 2 NS3 protein (2214 Activities)

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Npsr1 Neuropeptide S receptor (260 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Protease (18 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

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vpr Aberrant vpr protein (14595 Activities)

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SARS-CoV-2 (38078 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in DMSO to 100 mM and in ethanol to 25 mM
• 분자량: 270.280 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 270.089 Da
• Monoisotopic Mass: 270.089 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 346.000
• 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