Morin hydrate - ≥90% , CAS No.654055-01-3

CAS: 654055-01-3 Cat. No.: M107155 Molecular Weight: 302.24(anhydrous basis) EC Number: 684-856-6

GRADE & PURITY ≥90%

Synonyms

D78458 | s2325 | EN300-18550716 | CCG-267700 | Morin hydrate (Aurantica) | Morin hydrate, powder | HMS3656G05 | 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate | HY-N0151 | Morin hydrate | SCHEMBL294933 | Morin (monohydrate) | NCGC00164326-0

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

D78458 | s2325 | EN300-18550716 | CCG-267700 | Morin hydrate (Aurantica) | Morin hydrate, powder | HMS3656G05 | 2-(2, 4-dihydroxyphenyl)-3, 5, 7-trihydroxychromen-4-one;hydrate | HY-N0151 | Morin hydrate | SCHEMBL294933 | Morin (monohydrate) | NCGC00164326-0

Specifications & Purity

≥90%

Biochemical and Physiological Mechanisms

Morin hydrate is a flavonoid with antioxidant properties. It has been shown to protect cells against oxygen radical damage.Morin not only scavenges oxyradicals, but also moderately inhibits xanthine oxidase, a free-radical generating enzyme. At concentrat

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 488199346
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199346
• Canonical Smiles: C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O.O
• IUPAC Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;hydrate
• InChIKey: MYUBTSPIIFYCIU-UHFFFAOYSA-N
• INCHI: 1S/C15H10O7.H2O/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15;/h1-5,16-19,21H;1H2
• Isomeric SMILES: C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O.O
• Alternate CAS: 480-16-0;6202-27-3
• Molecular Weight: 302.24(anhydrous basis)
• Reaxy-Rn: 6675564
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6675564&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonols
• Alternative Parents: 3-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Chromones Resorcinols 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Vinylogous acids Heteroaromatic compounds Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-hydroxyflavone - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Chromone - Benzopyran - 1-benzopyran - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Polyol - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavonols. These are compounds that contain a flavone (2-phenyl-1-benzopyran-4-one) backbone carrying a hydroxyl group at the 3-position.
• 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)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

RXRA Tclin Retinoid X receptor alpha (3637 Activities)

Discover Target: RXRA

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

A549 (127892 Activities)

Explore this target

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HeLa (62764 Activities)

Explore this target

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

MPG Tchem DNA-3-methyladenine glycosylase (29 Activities)

Discover Target: MPG

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Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol (50 mg/ml), water (0.25 mg/ml at 20 °C), alcohol (freely), ether, and acetic acid.
• Melt Point(°C): 300°C
• Molecular Weight: 320.250 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 320.053 Da
• Monoisotopic Mass: 320.053 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 488.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3

References

1. Xiaochong Song, Qing Luo, Xiaojia Huang.  (2022)  Speciation of organotin compounds in water and seafood samples by online hyphenation of porous polymer-based magnetism-enhanced in-tube solid phase microextraction and HPLC.  ANALYTICA CHIMICA ACTA,      [PMID:35998999] [10.1016/j.aca.2022.340175]

2. Yixia Lu, Jian Hu, Yanbo Zeng, Ying Zhu, Hailong Wang, Xiaoling Lei, Shisi Huang, Longhua Guo, Lei Li.  (2020)  Electrochemical determination of rutin based on molecularly imprinted poly (ionic liquid) with ionic liquid-graphene as a sensitive element.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2020.127911]