Dracohodin perochlorate - ≥95% , CAS No.125536-25-6

CAS: 125536-25-6 Cat. No.: D414379 Peso molecular: 366.75 PubChem CID: 74787691

GRADE & PURITY ≥95%

Synonyms

1-​Benzopyrylium,7-​hydroxy-​5-​methoxy-​6-​methyl-​2-​phenyl-​,perchlorate (1:1) | Dracorhodin perchlorate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1-​Benzopyrylium, 7-​hydroxy-​5-​methoxy-​6-​methyl-​2-​phenyl-​, perchlorate (1:1) | Dracorhodin perchlorate

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

Dracohodin perochlorate, extracted from Dragon's blood, is widely used in traditional Chinese medicine, especially in wound healing.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488202346
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202346
• Sonrisas canónicas: CC1=C(C2=C(C=C1O)[O+]=C(C=C2)C3=CC=CC=C3)OC.[O-]Cl(=O)(=O)=O
• IUPAC Name: 5-methoxy-6-methyl-2-phenylchromenylium-7-ol;perchlorate
• InChIKey: KRTYZFUODYMZPG-UHFFFAOYSA-N
• INCHI: 1S/C17H14O3.ClHO4/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5)
• Isómeros SMILES: CC1=C(C2=C(C=C1O)[O+]=C(C=C2)C3=CC=CC=C3)OC.[O-]Cl(=O)(=O)=O
• PubChem CID: 74787691
• Peso molecular: 366.75

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 5-O-methylated flavonoids
• Alternative Parents: 7-hydroxyflavonoids Anthocyanidins 1-benzopyrans Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Organic perchlorates Organic perchlorate salts Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-methoxyflavonoid-skeleton - 7-hydroxyflavonoid - Hydroxyflavonoid - Anthocyanidin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Organic perchlorate salt - Organic perchlorate - Benzenoid - Heteroaromatic compound - Organic chlorate - Organoheterocyclic compound - Ether - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 5-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C5 atom of the flavonoid backbone.
• 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 73 mg/mL (199.04 mM)
• Peso molecular: 366.700 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 366.051 Da
• Monoisotopic Mass: 366.051 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 25
• 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: 2

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