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

CAS: 125536-25-6 Cat. No.: D414379 Fórmula: C₁₇H₁₅ClO₇ 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

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488202346

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202346

Sorrisos canónicos

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)

SMILES isoméricas

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
    • Classe Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: 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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