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

CAS: 114567-34-9 Cat. No.: B647406 Molecular Weight: 312.27 EC Number: 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

Overview

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

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

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

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

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=CC=CC=C4OC3O)O
• Alternate CAS: 114567-34-9
• PubChem CID: 14018348
• MeSH Entry Terms: 6,9,11-trihydroxy-10-methyl-6a,12a-dehydroretenoid;boeravinone B
• Molecular Weight: 312.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 50 mg/mL (160.12 mM; Need ultrasonic)
• Molecular Weight: 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