Boeravinone B - ≥97% , CAS No.114567-34-9

CAS: 114567-34-9 Cat. No.: B647406 Fórmula: C₁₇H₁₂O₆ Peso molecular: 312.27 Número CE: 683-253-5 PubChem CID: 14018348

GRADE & PURITY ≥97%

Synonyms

Boeravinone B, analytical standard | HY-N2947 | SCHEMBL3320676 | BDBM50492740 | 6a,12a-Dehydro-6,9,11-trihydroxy-10-methylrotenone | 6,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one | B0005-477333 | AKOS040762674 | MS-24546 | LMPK12060073 | bo

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Boeravinone B, a dual inhibitor of NorA bacterial efflux pump of Staphylococcus aureus and human P-Glycoprotein , reduces the biofilm formation and intracellular invasion of bacteria. Boeravinone B act as anti-aging and anti-apoptosis phyto-molecules during oxidative stress.

In Vitro

Boeravinone B is also active against a methicillin-resistant S. aureus (MRSA) strain, which showed a fourfold reduction in the ciprofloxacin MIC. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinónimos

Boeravinone B, analytical standard | HY-N2947 | SCHEMBL3320676 | BDBM50492740 | 6a,12a-Dehydro-6,9,11-trihydroxy-10-methylrotenone | 6,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one | B0005-477333 | AKOS040762674 | MS-24546 | LMPK12060073 | bo

Especificações e pureza

≥97%

Mecanismos bioquímicos e fisiológicos

Boeravinone B, a dual inhibitor of NorA bacterial efflux pump of Staphylococcus aureus and human P-Glycoprotein , reduces the biofilm formation and intracellular invasion of bacteria. Boeravinone B act as anti-aging and anti-apoptosis phyto-molecules duri

Condições de armazenamento de armazenamento

Protected from light,Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥97%

Nomes e identificadores

• Sorrisos canónicos: CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3O)O
• IUPAC Name: 6,9,11-trihydroxy-10-methyl-6H-chromeno[3,4-b]chromen-12-one
• InChIKey: YVVDYYFGAWQOGB-UHFFFAOYSA-N
• INCHI: 1S/C17H12O6/c1-7-9(18)6-11-13(14(7)19)15(20)12-8-4-2-3-5-10(8)23-17(21)16(12)22-11/h2-6,17-19,21H,1H3
• SMILES isoméricas: CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3O)O
• CAS alternativo: 114567-34-9
• PubChem CID: 14018348
• Termos de entrada MeSH: 6,9,11-trihydroxy-10-methyl-6a,12a-dehydroretenoid;boeravinone B
• Peso molecular: 312.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Isoflavonoids
      • Subclass Rotenoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Isoflavonoids
• Subclass: Rotenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Rotenones
• Alternative Parents: Isoflavones Chromones Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Hemiacetals Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Rotenone or derivatives - Isoflavone - Chromone - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Hemiacetal - Oxacycle - Polyol - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as rotenones. These are rotenoids with a structure based on a 6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one skeleton.
• External Descriptors: Rotenoid flavonoids

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 (humanos)

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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

Alvos associados (não humanos)

Rattus norvegicus (775804 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: DMSO : 50 mg/mL (160.12 mM; Need ultrasonic)
• Peso molecular: 312.270 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 312.063 Da
• Monoisotopic Mass: 312.063 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 543.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1