Sésamol - ≥98% , CAS No.533-31-3

CAS: 533-31-3 Cat. No.: S106853 Formule: C₇H₆O₃ Poids moléculaire: 138.12 Beilstein Registry Number: 127405 Numéro CE: 208-561-5 PubChem CID: 68289

GRADE & PURITY ≥98%

Synonyms

A25062 | SCHEMBL20959 | SDCCGMLS-0066221.P001 | SY015819 | CCRIS 1386 | F0001-1376 | sesamol sodium | CAS-533-31-3 | CCG-266144 | CHEBI:9126 | 5-Hydroxy-1,3-benzodioxole | BDBM36291 | NSC 59256 | Sesamol | (3,4-methylenedioxy)phenol | 3,4-Methylenedioxyph

Storage

A conserver à 2-8°C,A l'abri de la lumière,Chargé en argon

Shipped In

Glace humide

Vue d’ensemble

application：

Le sésamol possède une bonne activité antioxydante. Le sésamol a des effets protecteurs potentiels contre les radicaux libres ainsi qu'une certaine activité antifongique. Le sésamol peut également être utilisé comme intermédiaire dans la préparation d'antidépresseurs tels que la paroxétine (P205750). Le sésamol s'est avéré être un antioxydant qui peut empêcher l'altération des huiles. Il peut également prévenir l'altération des huiles en agissant comme un antifongique. Il est également utilisé dans la médecine ayurvédique.

Specifications

Synonymes

A25062 | SCHEMBL20959 | SDCCGMLS-0066221.P001 | SY015819 | CCRIS 1386 | F0001-1376 | sesamol sodium | CAS-533-31-3 | CCG-266144 | CHEBI:9126 | 5-Hydroxy-1,3-benzodioxole | BDBM36291 | NSC 59256 | Sesamol | (3,4-methylenedioxy)phenol | 3,4-Methylenedioxyph

Spécifications et pureté

≥98%

Conditions de stockage de stockage

A conserver à 2-8°C,A l'abri de la lumière,Chargé en argon

Expédié en

Glace humide

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504754275
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754275
• Sourires canoniques: C1OC2=C(O1)C=C(C=C2)O
• IUPAC Name: 1,3-benzodioxol-5-ol
• InChIKey: LUSZGTFNYDARNI-UHFFFAOYSA-N
• INCHI: 1S/C7H6O3/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3,8H,4H2
• Isomères SMILES: C1OC2=C(O1)C=C(C=C2)O
• WGK Allemagne: 3
• RTECS: SM0890000
• PubChem CID: 68289
• Poids moléculaire: 138.12
• Beilstein: 127405
• Reaxy-Rn: 127405

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Acetals Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Oxacycle - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• External Descriptors: benzodioxoles

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

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AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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TYR Tclin Tyrosinase (717 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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NOS3 Tchem Nitric-oxide synthase, endothelial (1452 Activities)

Discover Target: NOS3

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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HEK293 (82097 Activities)

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MAPK13 Tchem MAP kinase p38 (1586 Activities)

Discover Target: MAPK13

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Cibles associées (non humaines)

pol Human immunodeficiency virus type 1 integrase (9041 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in methanol, water (partly), and dichloromethane (25 mg/ml).
• Sensibilité: Sensitive to light; sensitive to air
• Point d'ébullition (°C): 113°C/2mmHg
• Point de fusion (°C): 63-65°C
• Poids moléculaire: 138.120 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 138.032 Da
• Monoisotopic Mass: 138.032 Da
• Topological Polar Surface Area: 38.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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: 1