Hispolon - ≥98%, mixture of cis and trans isomers , CAS No.173933-40-9

CAS: 173933-40-9 Cat. No.: H387186 Molecular Weight: 220.2

GRADE & PURITY ≥98%, mixture of cis and trans isomers

Synonyms

EX-A4869 | BH171710 | HY-150521 | MS-23223 | E88922 | DTXSID701045719 | Q15634151 | hispolon | SCHEMBL15917284 | (3Z,5E)-6-(3,4-dihydroxyphenyl)-4-hydroxy-hexa-3,5-dien-2-one | (3Z,5E)-6-(3,4-dihydroxyphenyl)-4-hydroxyhexa-3,5-dien-2-one | AKOS015896251 |

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Hispolon, a polyphenol, can be isolated from Phellinus linteus. Hispolon possesses anticancer, antidiabetic, antioxidant, antiviral, hepatoprotective, anti-diabetic, and anti-inflammatory activities.

Specifications

Synonyms

EX-A4869 | BH171710 | HY-150521 | MS-23223 | E88922 | DTXSID701045719 | Q15634151 | hispolon | SCHEMBL15917284 | (3Z, 5E)-6-(3, 4-dihydroxyphenyl)-4-hydroxy-hexa-3, 5-dien-2-one | (3Z, 5E)-6-(3, 4-dihydroxyphenyl)-4-hydroxyhexa-3, 5-dien-2-one | AKOS015896251 |

Specifications & Purity

≥98%, mixture of cis and trans isomers

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196529
• Canonical Smiles: CC(=O)C=C(C=CC1=CC(=C(C=C1)O)O)O
• IUPAC Name: (3Z,5E)-6-(3,4-dihydroxyphenyl)-4-hydroxyhexa-3,5-dien-2-one
• InChIKey: QDVIEIMMEUCFMW-QXYPORFMSA-N
• INCHI: 1S/C12H12O4/c1-8(13)6-10(14)4-2-9-3-5-11(15)12(16)7-9/h2-7,14-16H,1H3/b4-2+,10-6-
• Isomeric SMILES: CC(=O)/C=C(/C=C/C1=CC(=C(C=C1)O)O)\O
• Molecular Weight: 220.2
• Reaxy-Rn: 27613049
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27613049&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Benzenediols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Not available
• Direct Parent: Catechols
• Alternative Parents: Styrenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Enones Acryloyl compounds Ketones Enols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Acryloyl-group - Vinylogous acid - Alpha,beta-unsaturated ketone - Enone - Ketone - Enol - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as catechols. These are compounds containing a 1,2-benzenediol moiety.
• External Descriptors: Not available

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)

PTK2 Tclin Focal adhesion kinase 1 (4730 Activities)

Discover Target: PTK2

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BGC-823 (3035 Activities)

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DU-145 (51482 Activities)

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HCT-8 (3484 Activities)

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MCF7 (126967 Activities)

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A549 (127892 Activities)

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Bel-7402 (4577 Activities)

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HEK293 (82097 Activities)

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MDA-MB-231 (73002 Activities)

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Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

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A10 (235 Activities)

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MDCK (10148 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: 112.5 mg/mL (510.8 mM), ultrasonic and warming and heat to 70°C
• Sensitivity: light sensitive
• Molecular Weight: 220.220 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 220.074 Da
• Monoisotopic Mass: 220.074 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 306.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1