5-O-metilvisamminol - Moligand™,≥99% , CAS No.80681-42-1

CAS: 80681-42-1 Cat. No.: O697720 Peso molecular: 290.31 PubChem CID: 441970

GRADE & PURITY Moligand™, ≥99%

Synonyms

(S)-2-(2-Hydroxypropan-2-yl)-4-methoxy-7-methyl-2H-furo[3,2-g]chromen-5(3H)-one

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

(S)-2-(2-Hydroxypropan-2-yl)-4-methoxy-7-methyl-2H-furo[3, 2-g]chromen-5(3H)-one

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

5-O-Methylvisamminol, a (furo) chromone identified in the extract of T. glauca, has a limited occurrence in the plant kingdom. 5-O-Methylvisamminol is useful in (chemical) phylogeny and is a possible excellent chemotaxonomic marker (family and/or subfamil

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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

Grado

Moligand™

Pureza

≥99%

Propiedades del producto

• ALogP: 1.9

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(C3)C(C)(C)O)OC
• IUPAC Name: (2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3-dihydrofuro[3,2-g]chromen-5-one
• InChIKey: DGFLRNOCLJGHLY-ZDUSSCGKSA-N
• INCHI: 1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1
• Isómeros SMILES: CC1=CC(=O)C2=C(C3=C(C=C2O1)O[C@@H](C3)C(C)(C)O)OC
• PubChem CID: 441970
• Peso molecular: 290.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Chromones
          • Level6 Furanochromones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Chromones
• Direct Parent: Furanochromones
• Alternative Parents: Coumarans Anisoles Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Tertiary alcohols Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furanochromone - Coumaran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Vinylogous ester - Ether - Oxacycle - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furanochromones. These are polycyclic aromatic compounds containing a furan ring fused to a 1-benzopyran-4-one ring system.
• External Descriptors: Benzopyranoids

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

Propiedades químicas y físicas

• Peso molecular: 290.310 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 290.115 Da
• Monoisotopic Mass: 290.115 Da
• Topological Polar Surface Area: 65.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 469.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Referencias

1. Na Li, Xialian Cui, Yingjie Lu, Fang Zhang, Su Guo, Yue Su, Yinlong Guo.  (2025)  Spatial distribution analysis of secondary metabolites in bolted and unbolted Saposhnikovia divaricata by atmospheric pressure laser ablation carbon fiber ionization mass spectrometry imaging.  ANALYTICA CHIMICA ACTA,      [PMID:40374248] [10.1016/j.aca.2025.344096]