Lithospermoside - ≥98% , CAS No.63492-69-3

CAS: 63492-69-3 Cat. No.: L414328 Fórmula: C₁₄H₁₉NO8 Peso molecular: 329.11 Número CE: 110-084-1 PubChem CID: 10065132

GRADE & PURITY ≥98%

Synonyms

Lithospermoside | CCG-267800 | Griffonin | Q27155262 | s9073 | SCHEMBL21034847 | AKOS037514726 | C17771 | (Z)-2-((4R,5S,6S)-4,5-Dihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)cyclohex-2-en-1-ylidene)acetonitr

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Lithospermoside (Griffonin), extracted from the roots ofLithospermum purpurocaeruleumandL.officinale(Borginaceae), andThalictrum rugosumandT. dasycarpum(Ranunculaceae), has anti-oxidant, anti-tumor promoting activities.

Specifications

Sinónimos

Lithospermoside | CCG-267800 | Griffonin | Q27155262 | s9073 | SCHEMBL21034847 | AKOS037514726 | C17771 | (Z)-2-((4R,5S,6S)-4,5-Dihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)cyclohex-2-en-1-ylidene)acetonitr

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Lithospermoside (Griffonin), extracted from the roots of Lithospermum purpurocaeruleum and L.officinale (Borginaceae), and Thalictrum rugosum and T. dasycarpum (Ranunculaceae), has anti-oxidant, anti-tumor promoting activities.

Condições de armazenamento de armazenamento

Protected from light,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

≥98%

Nomes e identificadores

• Pubchem Sid: 504765227
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765227
• Sorrisos canónicos: C1=CC(=CC#N)C(C(C1O)O)OC2C(C(C(C(O2)CO)O)O)O
• IUPAC Name: (2Z)-2-[(4R,5S,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
• InChIKey: WIIDBJNWXCWLKF-VVAXPEBGSA-N
• INCHI: 1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1
• SMILES isoméricas: C1=C/C(=C/C#N)/[C@@H]([C@H]([C@@H]1O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• PubChem CID: 10065132
• Peso molecular: 329.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Hexoses Oxanes Cyclitols and derivatives Secondary alcohols Polyols Oxacyclic compounds Nitriles Acetals Primary alcohols Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hexose monosaccharide - O-glycosyl compound - Cyclitol or derivatives - Monosaccharide - Oxane - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Nitrile - Carbonitrile - Acetal - Primary alcohol - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Alcohol - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• External Descriptors: glycoside

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

Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Bacillus subtilis (32866 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 52 mg/mL (157.91 mM)
• Sensibilidade: Light sensitive
• Peso molecular: 329.300 g/mol
• XLogP3: -3.300
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 329.111 Da
• Monoisotopic Mass: 329.111 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 526.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1