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

CAS: 548-29-8 Cat. No.: I664391 Summenformel: C₂₀H₂₄O₆ Molekulargewicht: 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

Synonyme

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

Spezifikationen & Reinheit

Moligand™,≥97%

Biochemische und physiologische Mechanismen

(+)-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.

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

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

Note

Moligand™

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: COC1=C(C=C2[C@@H]([C@H]([C@@H](CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O
• Alternative CAS-Nummer: 548-29-8
• MeSH-Eintrag: 1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6-methoxy-2,3-naphthalenedimethanol;isolariciresinol
• Molekulargewicht: 360.40

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Klasse: 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
• Beschreibung: 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

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 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