Conocarpan - ≥95%(LC/MS-ELSD) , CAS No.56319-02-9

CAS: 56319-02-9 Cat. No.: C463855 分子式: C₁₈H₁₈O₂ 分子量: 266.33 EC番号: 803-862-3

GRADE & PURITY ≥95%(LC/MS-ELSD)

Synonyms

(-)-Conocarpan | Conocarpan, >=95% (LC/MS-ELSD) | BDBM50391886 | Conocarpan | NCGC00380704-01 | NSC727405 | NSC-727405 | DTXSID70451404 | AKOS040734732 | 4-[(2R,3R)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Description

Natural product derived from plant source.}

Specifications

同義語

(-)-Conocarpan | Conocarpan, >=95% (LC/MS-ELSD) | BDBM50391886 | Conocarpan | NCGC00380704-01 | NSC727405 | NSC-727405 | DTXSID70451404 | AKOS040734732 | 4-[(2R,3R)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol

仕様と純度

≥95%(LC/MS-ELSD)

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%(LC/MS-ELSD)

名前と識別子

• カノニカル・スマイル: CC=CC1=CC2=C(C=C1)OC(C2C)C3=CC=C(C=C3)O
• IUPAC Name: 4-[(2R,3R)-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
• InChIKey: GXJSAHXNLJFDPO-CGBXWHSCSA-N
• INCHI: 1S/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3/b4-3+/t12-,18-/m1/s1
• 異性体SMILES: C/C=C/C1=CC2=C(C=C1)O[C@H]([C@@H]2C)C3=CC=C(C=C3)O
• 分子量: 266.33
• Reaxy-Rn: 47542780
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47542780&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 2-arylbenzofuran flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: 2-arylbenzofuran flavonoids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-arylbenzofuran flavonoids
• Alternative Parents: Lignans, neolignans and related compounds Coumarans Benzofurans Styrenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-arylbenzofuran flavonoid - Neolignan skeleton - Coumaran - Benzofuran - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.
• 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

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作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: Not applicable
• 引火点（°C）: Not applicable
• 分子量: 266.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 266.131 Da
• Monoisotopic Mass: 266.131 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 343.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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