Kuwanon E - ≥96% , CAS No.68401-05-8

CAS: 68401-05-8 Cat. No.: K650940 분자식: C₂₅H₂₈O₆ 분자량: 424.5 PubChem CID: 6440408

GRADE & PURITY ≥96%

Synonyms

(S)-2-[5-[(E)-3,7-Dimethyl-2,6-octadienyl]-2,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one | HY-N3514 | (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one | BDBM50291290 | (2S)-2-[

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Kuwanon E is a flavonoid isolated from Morus alba , cytotoxic to human monocytic leukemic cell lines, and reduces the level of IL-1β

Form:Solid

IC50& Target:Kuwanon E shows cytotoxic activity against THP-1 human monocytic leukemic cell line, with an IC 50 of 4.0±0.08 μM

Specifications

동의어

(S)-2-[5-[(E)-3,7-Dimethyl-2,6-octadienyl]-2,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one | HY-N3514 | (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one | BDBM50291290 | (2S)-2-[

사양 및 순도

≥96%

생화학 및 생리적 메커니즘

Kuwanon E is a flavonoid isolated from Morus alba , cytotoxic to human monocytic leukemic cell lines, and reduces the level of IL-1β.

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥96%

이름과 식별자

• 정식 스마일: CC(=CCCC(=CCC1=CC(=C(C=C1O)O)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C)C
• IUPAC Name: (2S)-2-[5-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
• InChIKey: GJFHZVPRFLHEBR-KETROQBRSA-N
• INCHI: 1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-16-9-18(20(28)12-19(16)27)23-13-22(30)25-21(29)10-17(26)11-24(25)31-23/h5,7,9-12,23,26-29H,4,6,8,13H2,1-3H3/b15-7+/t23-/m0/s1
• 이성체 SMILES: CC(=CCC/C(=C/CC1=CC(=C(C=C1O)O)[C@@H]2CC(=O)C3=C(C=C(C=C3O2)O)O)/C)C
• 대체 CAS: 68401-05-8
• PubChem CID: 6440408
• 분자량: 424.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Flavonoids
      • Subclass Flavans
        • Level5 3'-prenylated flavans
          • Level6 3'-prenylated flavanones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: 3'-prenylated flavans
• Direct Parent: 3'-prenylated flavanones
• Alternative Parents: 4'-hydroxyflavonoids 5-hydroxyflavonoids Flavanones 7-hydroxyflavonoids Chromones Bicyclic monoterpenoids Aromatic monoterpenoids Resorcinols Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Benzene and substituted derivatives Vinylogous acids Oxacyclic compounds Hydrocarbon derivatives Organic oxides Aldehydes
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3'-prenylated flavanone - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavanone - Hydroxyflavonoid - Chromone - Aromatic monoterpenoid - Chromane - Benzopyran - Bicyclic monoterpenoid - Monoterpenoid - 1-benzopyran - Resorcinol - Aryl alkyl ketone - Aryl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ketone - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 3'-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 3'-position.
• External Descriptors: Not available

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)

ATP2A1 Tchem Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 (55 Activities)

Discover Target: ATP2A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Pde4d Phosphodiesterase 4D (4 Activities)

Discover Target: Pde4d

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 분자량: 424.500 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 424.189 Da
• Monoisotopic Mass: 424.189 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 681.000
• 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

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 68401-05-8, the molecular formula is C25H28O6, and the molecular weight is 424.5 g/mol. InChIKey GJFHZVPRFLHEBR-KETROQBRSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.