Magnolin - 10mM in DMSO , CAS No.31008-18-1

CAS: 31008-18-1 Cat. No.: M423201 Summenformel: C₂₃H₂₈O₇ Molekulargewicht: 416.46

GRADE & PURITY 10mM in DMSO

Synonyms

UNII-95DA2NWV8P | (1S,3AR,4S,6AR)-1-(3,4-DIMETHOXYPHENYL)-4-(3,4,5-TRIMETHOXYPHENYL)-HEXAHYDROFURO(3,4-C)FURAN | Poloxalene L64 | (1S-(1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.))-1H,3H-FURO(3,4-C)FURAN, 1.ALPHA.-(3,4-DIMETHOXYPHENYL)-3A.ALPHA.,4,6,6A.ALPHA.-T

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyme

UNII-95DA2NWV8P | (1S,3AR,4S,6AR)-1-(3,4-DIMETHOXYPHENYL)-4-(3,4,5-TRIMETHOXYPHENYL)-HEXAHYDROFURO(3,4-C)FURAN | Poloxalene L64 | (1S-(1.ALPHA.,3A.ALPHA.,4.ALPHA.,6A.ALPHA.))-1H,3H-FURO(3,4-C)FURAN, 1.ALPHA.-(3,4-DIMETHOXYPHENYL)-3A.ALPHA.,4,6,6A.ALPHA.-T

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Namen und Kennungen

• Pubchem Sid: 528772100
• Kanonisches Lächeln: COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OC
• IUPAC Name: (3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
• InChIKey: MFIHSKBTNZNJIK-RZTYQLBFSA-N
• INCHI: 1S/C23H28O7/c1-24-17-7-6-13(8-18(17)25-2)21-15-11-30-22(16(15)12-29-21)14-9-19(26-3)23(28-5)20(10-14)27-4/h6-10,15-16,21-22H,11-12H2,1-5H3/t15-,16-,21+,22+/m0/s1
• Isomere SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)OC)OC)OC
• Molekulargewicht: 416.46
• Reaxy-Rn: 47796115
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47796115&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lignans, neolignans and related compounds
    • Klasse Furanoid lignans

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Klasse: Furanoid lignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furanoid lignans
• Alternative Parents: Furofuran lignans Dimethoxybenzenes Phenoxy compounds Furofurans Anisoles Alkyl aryl ethers Tetrahydrofurans Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furanoid lignan - Furofuran lignan skeleton - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Furofuran - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tetrahydrofuran - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units.
• External Descriptors: Not available

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 (1 Activities)

Discover Target: ACHE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 416.500 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 416.184 Da
• Monoisotopic Mass: 416.184 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 532.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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