Isovitexin - Moligand™, ≥98% , CAS No.29702-25-8

CAS: 29702-25-8 Cat. No.: I414321 Summenformel: C₂₁H₂₀O₁₀ Molekulargewicht: 432.38

GRADE & PURITY Moligand™, ≥98%

Synonyms

CHEBI:18330 | NCGC00163578-01 | Benzyl Methacrylate, (stabilized with MEHQ) | 6-C-beta-D-Glucopyranosylapigenin | Isovitexin | AS-56231 | C01714 | ISOVITEXIN WITH | SMR001215816 | 4H-1-Benzopyran-4-one, 6-.beta.-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

Isovitexin (saponaretin, Apigenin-6-C-glucoside), an active component of many traditional Chinese medicines, has various activities, such as anti-oxidant, anti-inflammatory, anti-alzheimer disease (AD) effects and so on.

Specifications

Synonyme

CHEBI:18330 | NCGC00163578-01 | Benzyl Methacrylate, (stabilized with MEHQ) | 6-C-beta-D-Glucopyranosylapigenin | Isovitexin | AS-56231 | C01714 | ISOVITEXIN WITH | SMR001215816 | 4H-1-Benzopyran-4-one, 6-.beta.-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Isovitexin (saponaretin, Apigenin-6-C-glucoside), an active component of many traditional Chinese medicines, has various activities, such as anti-oxidant, anti-inflammatory, anti-alzheimer disease (AD) effects and so on.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥98%

Produkteigenschaften

ALogP

0.018

hba_count

3

HBD-Zahl

7

Rotationsfähige Bindung

3

Namen und Kennungen

Pubchem Sid

504757527

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757527

Kanonisches Lächeln

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O

IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

InChIKey

MYXNWGACZJSMBT-VJXVFPJBSA-N

INCHI

1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1

Isomere SMILES

C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

Alternative CAS-Nummer

38953-85-4

Molekulargewicht

432.38

Reaxy-Rn

1444116

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1444116&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Flavonoids
      • Subclass Flavonoid glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonoid C-glycosides
• Alternative Parents: 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavones Phenolic glycosides Hexoses Chromones C-glycosyl compounds 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Oxanes Benzene and substituted derivatives Heteroaromatic compounds Vinylogous acids Secondary alcohols Oxacyclic compounds Dialkyl ethers Polyols Organic oxides Hydrocarbon derivatives Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid c-glycoside - Hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Flavone - Phenolic glycoside - Hexose monosaccharide - Glycosyl compound - Chromone - C-glycosyl compound - 1-benzopyran - Benzopyran - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Ether - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Polyol - Primary alcohol - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as flavonoid c-glycosides. These are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
• External Descriptors: flavones - Flavones and Flavonols

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

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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HL-60 (67320 Activities)

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THP-1 (11052 Activities)

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U-937 (7138 Activities)

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HepG2 (196354 Activities)

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Jurkat (10389 Activities)

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HCT-15 (51914 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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Staphylococcus aureus (210822 Activities)

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srtA Sortase A (641 Activities)

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BCHE Cholinesterase (8742 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 86 mg/mL (198.89 mM)
• DMSO (mg/ml) Maximale Löslichkeit: 86
• DMSO (mM) Maximale Löslichkeit: 198.900266549485
• Molekulargewicht: 432.400 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 432.106 Da
• Monoisotopic Mass: 432.106 Da
• Topological Polar Surface Area: 177.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 690.000
• 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