Trifolirhizin - Moligand™,≥99% , CAS No.6807-83-6

CAS: 6807-83-6 Cat. No.: T139172 Peso molecular: 446.4 Número EC: 804-190-3 PubChem CID: 442827

GRADE & PURITY Moligand™, ≥99%

Synonyms

DTXSID70987516 | NCGC00169980-03 | AKOS030632879 | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol | CHEBI:9714 | BRD-K43094903-001-01-3 |

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Description
Trifolirhizin is a pterocarpan flavonoid isolated from the roots of Sophora flavescens. Trifolirhizin possesses potent tyrosinase inhibitory activity with an IC50 of 506 μM[1]. Trifolirhizin exhibits potential anti-inflammatory and anticancer activities.

Specifications

Sinónimos

DTXSID70987516 | NCGC00169980-03 | AKOS030632879 | (2R, 3S, 4S, 5R, 6S)-2-(hydroxymethyl)-6-[[(1R, 12R)-5, 7, 11, 19-tetraoxapentacyclo[10.8.0.02, 10.04, 8.013, 18]icosa-2, 4(8), 9, 13(18), 14, 16-hexaen-16-yl]oxy]oxane-3, 4, 5-triol | CHEBI:9714 | BRD-K43094903-001-01-3 |

Especificaciones y pureza

Moligand™, ≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light, 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.

Grado

Moligand™

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488189797
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189797
• Sonrisas canónicas: C1C2C(C3=C(O1)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6
• IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol
• InChIKey: VGSYCWGXBYZLLE-QEEQPWONSA-N
• INCHI: 1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18+,19-,20+,21-,22+/m0/s1
• Isómeros SMILES: C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6
• PubChem CID: 442827
• Peso molecular: 446.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Isoflavonoids
      • Subclass Furanoisoflavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Isoflavonoids
• Subclass: Furanoisoflavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Pterocarpans
• Alternative Parents: Isoflavanols Phenolic glycosides O-glycosyl compounds 1-benzopyrans Benzodioxoles Benzofurans Coumarans Alkyl aryl ethers Monosaccharides Benzenoids Oxanes Secondary alcohols Acetals Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pterocarpan - Isoflavanol - Isoflavan - Phenolic glycoside - Glycosyl compound - O-glycosyl compound - Chromane - Benzopyran - 1-benzopyran - Coumaran - Benzodioxole - Benzofuran - Alkyl aryl ether - Benzenoid - Monosaccharide - Oxane - Secondary alcohol - Polyol - Ether - Acetal - Organoheterocyclic compound - Oxacycle - Primary alcohol - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids.
• External Descriptors: pterocarpans - Pterocarpanes

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

Objetivos asociados (no humanos)

Human alphaherpesvirus 2 (4932 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Human alphaherpesvirus 1 (11089 Activities)

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RAW264.7 (28094 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO
• Sensibilidad: light sensitive
• Peso molecular: 446.400 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 446.121 Da
• Monoisotopic Mass: 446.121 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 679.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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