Silymarin - ≥80% , CAS No.65666-07-1

CAS: 65666-07-1 Cat. No.: S304299 Formula: C₂₅H₂₂O₁₀ Molecular Weight: 482.44 EC Number: 613-830-9 PubChem CID: 5213

GRADE & PURITY ≥80%

Synonyms

HMS1608M08 | MFCD00872186 | MLS000028529 | SY067261 | Flavobin Spofa | NCGC00089738-02 | SR-01000000093-6 | CHEBI:125451 | NCGC00018179-04 | Apihepar | FT-0775414 | MLS006011786 | Silybin | Silybine | SMR000058272 | BBL027841 | Q27216069 | Silybin; Silibi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Silymarin has been used in research:

Its antiviral, antibacterial, antifungal activities and cytotoxicity in vitro

Effects of silymarin on bladder contraction in a rat model of cyclophosphamide (CYP) - induced cystitis

Its effect on fumonisin B1 induced liver poisoning in mice

Specifications

Synonyms

HMS1608M08 | MFCD00872186 | MLS000028529 | SY067261 | Flavobin Spofa | NCGC00089738-02 | SR-01000000093-6 | CHEBI:125451 | NCGC00018179-04 | Apihepar | FT-0775414 | MLS006011786 | Silybin | Silybine | SMR000058272 | BBL027841 | Q27216069 | Silybin; Silibi

Specifications & Purity

≥80%

Biochemical and Physiological Mechanisms

Silymarin has cardioprotective activity against ischemia reperfusion induced myocardial infarction in rats. Silymarin was originally a well-known agent that protected the liver from various toxic substances and was used to treat hepatitis and cirrhosis.Si

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥80%

Names and Identifiers

Pubchem Sid

504750855

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750855

Canonical Smiles

COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

IUPAC Name

3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

InChIKey

SEBFKMXJBCUCAI-UHFFFAOYSA-N

INCHI

1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O

PubChem CID

5213

Molecular Weight

482.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Class Flavonolignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Class: Flavonolignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonolignans
• Alternative Parents: 3-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavanonols Phenylbenzo-1,4-dioxanes Chromones Methoxyphenols Benzo-1,4-dioxanes Phenoxy compounds Anisoles Methoxybenzenes Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Para dioxins Vinylogous acids Secondary alcohols Oxacyclic compounds Polyols Organic oxides Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonolignan - Hydroxyflavonoid - 3-hydroxyflavonoid - Flavanonol - Flavanone - 7-hydroxyflavonoid - 5-hydroxyflavonoid - Flavan - Phenylbenzodioxane - 2-phenylbenzo-1,4-dioxane - Chromone - 1-benzopyran - Methoxyphenol - Benzopyran - Chromane - Benzodioxane - Benzo-1,4-dioxane - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Para-dioxin - Monocyclic benzene moiety - Vinylogous acid - Secondary alcohol - Ketone - Polyol - Organoheterocyclic compound - Ether - Oxacycle - Alcohol - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavonolignans. These are non-conventional lignans that derived from flavonoids. They are characterized by a p-dioxin ring substituted at one carbon atom by a C3C6 (phenylpropan) group and fused to the B-ring of the 2-phenylchromene moiety.
• External Descriptors: Dihyroflavonols

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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Flash Point(°C): 274.4℃
• Boil Point(°C): 793℃ at 760 mmHg
• Molecular Weight: 482.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 482.121 Da
• Monoisotopic Mass: 482.121 Da
• Topological Polar Surface Area: 155.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 750.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1