Kurarinone - Moligand™,≥98% , CAS No.34981-26-5

CAS: 34981-26-5 Cat. No.: K648572 Molecular Weight: 438.51 PubChem CID: 11982640

GRADE & PURITY Moligand™, ≥98%

Synonyms

CHEBI:66150 | MS-27860 | (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one | C17446 | (2S)-(-)-kurarinone | Kurarinone, >=98% (HPLC) | LMPK12140499 | DTXSID60956438 | Q27134672 | A

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Kurarinone is a flavonoid extracted from the shrub Sophora flavescens, which has anti-tumor, estrogenic and anti-inflammatory activities, and also has a strong inhibitory effect on immune responses.

Specifications

Synonyms

CHEBI:66150 | MS-27860 | (2S)-2-[2, 4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2, 3-dihydrochromen-4-one | C17446 | (2S)-(-)-kurarinone | Kurarinone, >=98% (HPLC) | LMPK12140499 | DTXSID60956438 | Q27134672 | A

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Kurarinone, a flavanoid derived from shrub Sophora flavescens , inhibits the process of experimental autoimmune encephalomyelitis via blocking Th1 and Th17 cell differentiation.

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=CCC(CC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=C(C=C(C=C3)O)O)C(=C)C)C
• IUPAC Name: (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
• InChIKey: LTTQKYMNTNISSZ-MWTRTKDXSA-N
• INCHI: 1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28/h6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3/t16-,23+/m1/s1
• Isomeric SMILES: CC(=CC[C@H](CC1=C2C(=C(C=C1O)OC)C(=O)C[C@H](O2)C3=C(C=C(C=C3)O)O)C(=C)C)C
• PubChem CID: 11982640
• Molecular Weight: 438.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass Flavans
        • Level5 8-prenylated flavans
          • Level6 8-prenylated flavanones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Flavans
• Intermediate Tree Nodes: 8-prenylated flavans
• Direct Parent: 8-prenylated flavanones
• Alternative Parents: 5-O-methylated flavonoids 4'-hydroxyflavonoids 7-hydroxyflavonoids Flavanones Chromones Bicyclic monoterpenoids Aromatic monoterpenoids Aryl alkyl ketones Anisoles Resorcinols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 8-prenylated flavanone - 5-methoxyflavonoid-skeleton - 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Flavanone - Hydroxyflavonoid - Chromone - Aromatic monoterpenoid - Chromane - Benzopyran - Bicyclic monoterpenoid - Monoterpenoid - 1-benzopyran - Aryl alkyl ketone - Anisole - Aryl ketone - Resorcinol - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Ketone - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 8-prenylated flavanones. These are flavanones that features a C5-isoprenoid substituent at the 8-position.
• External Descriptors: Flavanones

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

Chemical and Physical Properties

• Solubility: DMSO : 50 mg/mL (114.02 mM; Need ultrasonic)
• Sensitivity: Light sensitive
• Molecular Weight: 438.500 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 438.204 Da
• Monoisotopic Mass: 438.204 Da
• Topological Polar Surface Area: 96.200 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 698.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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