(+)-Isolariciresinol - Moligand™,≥97% , CAS No.548-29-8

CAS: 548-29-8 Cat. No.: I664391 Fórmula: C₂₀H₂₄O₆ Peso molecular: 360.40

GRADE & PURITY Moligand™, ≥97%

Synonyms

(+)-Cyclolariciresinol | Isolariciresinol | ((1S,2R,3R)-7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diyl)dimethanol

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

(+)-Cyclolariciresinol | Isolariciresinol | ((1S,2R,3R)-7-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene-2,3-diyl)dimethanol

Especificações e pureza

Moligand™,≥97%

Mecanismos bioquímicos e fisiológicos

(+)-Isolariciresinol ((+)-Cyclolariciresinol) is a phenolic compound originally derived from the needles of Pinus densiflora. (+)-Isolariciresinol has anti-inflammatory activity and can be used for research on rheumatic inflammation.

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O

IUPAC Name

(6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol

InChIKey

OGFXBIXJCWAUCH-KPHUOKFYSA-N

INCHI

1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1

SMILES isoméricas

COC1=C(C=C2[C@@H]([C@H]([C@@H](CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O

CAS alternativo

548-29-8

Termos de entrada MeSH

1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-naphthalenedimethanol;isolariciresinol

Peso molecular

360.40

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Classe Aryltetralin lignans
      • Subclass 9,9p-dihydroxyaryltetralin lignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Classe: Aryltetralin lignans
• Subclass: 9,9p-dihydroxyaryltetralin lignans
• Intermediate Tree Nodes: Not available
• Direct Parent: 9,9p-dihydroxyaryltetralin lignans
• Alternative Parents: Tetralins Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,9p-dihydroxyaryltetralin lignan - Methoxyphenol - Tetralin - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Ether - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 9,9p-dihydroxyaryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton carrying a hydroxyl group at the 9- and the 9'- position.
• External Descriptors: polyphenol - primary alcohol - monomethoxybenzene - lignan

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

Alvos associados (humanos)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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CCRF-CEM (65223 Activities)

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HL-60 (67320 Activities)

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H9 (1832 Activities)

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SW1573 (1008 Activities)

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Alvos associados (não humanos)

Mus musculus (284745 Activities)

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Hepatitis B virus (7925 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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RAW264.7 (28094 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• Peso molecular: 360.400 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 360.157 Da
• Monoisotopic Mass: 360.157 Da
• Topological Polar Surface Area: 99.400 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 446.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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