Luteolin-7-O-glucuronide (Luteolin 7-glucuronide) is a flavone glycoside found in plants. Luteolin-7-O-glucuronide possesses anti-microbial, antioxidant, anti-mutagenic, anti-genotoxic, anti-inflammatory, and anti-arthritic activities.

仕様

同義語

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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名前と識別子

パブケム・シド

528765405

カノニカル・スマイル

C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O

IUPAC Name

(2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

InChIKey

VSUOKLTVXQRUSG-ZFORQUDYSA-N

INCHI

1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1

異性体SMILES

C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O

分子量

462.36

Reaxy-Rn

11337999

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11337999&ln=

ドキュメント

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詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - 分類 Flavonoids
    - Subclass Flavonoid glycosides
      - Level5 Flavonoid O-glycosides
        Level6 Flavonoid O-glucuronides
        Level7 Flavonoid-7-O-glucuronides

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
分類	Flavonoids
Subclass	Flavonoid glycosides
Intermediate Tree Nodes	Flavonoid O-glycosides - Flavonoid O-glucuronides
Direct Parent	Flavonoid-7-O-glucuronides
Alternative Parents	Flavonoid-7-O-glycosides Flavones 3'-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids Phenolic glycosides O-glucuronides Hexoses O-glycosyl compounds Chromones Catechols Pyranones and derivatives Beta hydroxy acids and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxanes Vinylogous acids Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Polyols Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Flavonoid-7-o-glucuronide - Flavonoid-7-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Phenolic glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Hexose monosaccharide - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Catechol - Beta-hydroxy acid - Pyranone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Hydroxy acid - Monosaccharide - Vinylogous acid - Heteroaromatic compound - Secondary alcohol - Monocarboxylic acid or derivatives - Acetal - Organoheterocyclic compound - Polyol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Alcohol - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
説明	This compound belongs to the class of organic compounds known as flavonoid-7-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C7-position.
External Descriptors	flavones - Flavones and Flavonols
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

3 D構造

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感度	light sensitive
分子量	462.400 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	4
Exact Mass	462.08 Da
Monoisotopic Mass	462.08 Da
Topological Polar Surface Area	203.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	785.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
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

Luteolin-7-O-glucuronide - 10mM in DMSO , CAS No.29741-10-4

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