4',7-Dimethoxyisoflavone - 10mM in DMSO , CAS No.1157-39-7

CAS: 1157-39-7 Cat. No.: D420733 분자식: C₁₇H₁₄O₄ 분자량: 282.3

GRADE & PURITY 10mM in DMSO

Synonyms

BDBM50491177 | Difluoromethane or Refrigerant gas R 32 | HSDB 170 | SMR001562127 | 7-Methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one | AS-69269 | Daidzein-7,4?-dimethyl ether | Oprea1_523121 | 7-Methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one | F3385-0965

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

BDBM50491177 | Difluoromethane or Refrigerant gas R 32 | HSDB 170 | SMR001562127 | 7-Methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one | AS-69269 | Daidzein-7,4?-dimethyl ether | Oprea1_523121 | 7-Methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one | F3385-0965

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

• Pubchem Sid: 528759338
• 정식 스마일: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC
• IUPAC Name: 7-methoxy-3-(4-methoxyphenyl)chromen-4-one
• InChIKey: LPNBCGIVZXHHHO-UHFFFAOYSA-N
• INCHI: 1S/C17H14O4/c1-19-12-5-3-11(4-6-12)15-10-21-16-9-13(20-2)7-8-14(16)17(15)18/h3-10H,1-2H3
• 이성체 SMILES: COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC
• 분자량: 282.3
• Reaxy-Rn: 265550
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=265550&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Isoflavonoids
      • Subclass O-methylated isoflavonoids
        • Level5 7-O-methylated isoflavonoids
          • Level6 7-O-methylisoflavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Isoflavonoids
• Subclass: O-methylated isoflavonoids
• Intermediate Tree Nodes: 7-O-methylated isoflavonoids
• Direct Parent: 7-O-methylisoflavones
• Alternative Parents: 4'-O-methylisoflavones Isoflavones Chromones Phenoxy compounds Methoxybenzenes Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4p-o-methylisoflavone - 7-o-methylisoflavone - Isoflavone - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Organoheterocyclic compound - Ether - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 7-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C7 atom of the isoflavone backbone.
• External Descriptors: Isoflavonoids

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)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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POLI Tchem DNA polymerase iota (116820 Activities)

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BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

Discover Target: BRCA1

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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

Discover Target: TARDBP

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관련 대상(비인간)

Helicobacter pylori (3113 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Leishmania donovani (89745 Activities)

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Vero (26788 Activities)

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

Discover Target: Nfe2l2

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작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 161-165°C
• 분자량: 282.290 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 282.089 Da
• Monoisotopic Mass: 282.089 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 409.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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