Isovitexin - Moligand™, 10mM in DMSO , CAS No.29702-25-8

CAS: 29702-25-8 Cat. No.: I423053 분자식: C₂₁H₂₀O₁₀ 분자량: 432.38

GRADE & PURITY Moligand™, 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

개요

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

동의어

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

사양 및 순도

Moligand™, 10mM in DMSO

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

작업 유형

INHIBITOR

제품 특성

ALogP

0.018

hba_count

3

HBD 수

7

회전 가능한 결합

3

이름과 식별자

Pubchem Sid

528771775

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771775

정식 스마일

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

이성체 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

대체 CAS

38953-85-4

분자량

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
    • 분류 Flavonoids
      • Subclass Flavonoid glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: 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
• 설명: 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

관련 대상(인간)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

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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)

Discover Target: GNAS

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Discover Target: IDH1

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관련 대상(비인간)

Staphylococcus aureus (210822 Activities)

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srtA Sortase A (641 Activities)

Discover Target: srtA

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

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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작용 메커니즘

화학 및 물리적 특성

• DMSO(mg/mL) 최대 용해도: 86
• DMSO(mM) 최대 용해도: 198.900266549485
• 분자량: 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