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

CAS: 125536-25-6 Cat. No.: D414379 Formule: C₁₇H₁₅ClO₇ Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

≥95%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488202346

Pubchem Sid Url

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

Sourires canoniques

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)

Isomères SMILES

CC1=C(C2=C(C=C1O)[O+]=C(C=C2)C3=CC=CC=C3)OC.[O-]Cl(=O)(=O)=O

PubChem CID

74787691

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 73 mg/mL (199.04 mM)
• Poids moléculaire: 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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