6-Geranyl-7-hydroxycoumarin - ≥98% , CAS No.148-83-4

CAS: 148-83-4 Cat. No.: G463792 Peso molecular: 298.37 Número EC: 802-686-4

GRADE & PURITY ≥98%

Synonyms

(E)-6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxycoumarin | ACon1_001218 | CCRIS 8087 | 2H-1-Benzopyran-2-one, 6-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)- | SCHEMBL2936121 | CHEBI:69833 | 2H-1-Benzopyran-2-one,7-dimethyl-2,6-octadienyl)-7-hydroxy-, (E)-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Description

Natural product derived from plant source.}

Specifications

Sinónimos

(E)-6-(3, 7-dimethyl-2, 6-octadienyl)-7-hydroxycoumarin | ACon1_001218 | CCRIS 8087 | 2H-1-Benzopyran-2-one, 6-(3, 7-dimethyl-2, 6-octadienyl)-7-hydroxy-, (E)- | SCHEMBL2936121 | CHEBI:69833 | 2H-1-Benzopyran-2-one, 7-dimethyl-2, 6-octadienyl)-7-hydroxy-, (E)-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(=CCCC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)O)C)C
• IUPAC Name: 6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one
• InChIKey: INBMTJJPUABOQJ-VGOFMYFVSA-N
• INCHI: 1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16-9-10-19(21)22-18(16)12-17(15)20/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+
• Isómeros SMILES: CC(=CCC/C(=C/CC1=C(C=C2C(=C1)C=CC(=O)O2)O)/C)C
• Peso molecular: 298.37
• Reaxy-Rn: 28225
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28225&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Terpene lactones

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene lactones
• Alternative Parents: 7-hydroxycoumarins Bicyclic monoterpenoids Aromatic monoterpenoids 1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Terpene lactone - 7-hydroxycoumarin - Hydroxycoumarin - Coumarin - Aromatic monoterpenoid - Benzopyran - Bicyclic monoterpenoid - Monoterpenoid - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
• External Descriptors: coumarins

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 298.400 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 298.157 Da
• Monoisotopic Mass: 298.157 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 483.000
• 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