Phillygenin - 10mM in DMSO , CAS No.487-39-8

CAS: 487-39-8 Cat. No.: P424226 Formula: C₂₁H₂₄O₆ Molecular Weight: 372.41 PubChem CID: 3083590

GRADE & PURITY 10mM in DMSO

Synonyms

Epipinoresinol methyl ether | 4-((1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl)-2-methoxyphenol | Phillygenol | (+)-SYLVATESMIN | AS-56623 | BRD-K69431605-001-01-7 | DTXSID80197588 | Phillygenol; Epipinoresinol methyl ether

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Phillygenin Phillygenin (Sylvatesmin), a bioactive intergradient in Osmanthus fragrans, has anti-inflammatory, anti-obesity and antipyretic activities. It could reduce blood lipid levels and low density lipoprotein.

Specifications

Synonyms

Epipinoresinol methyl ether | 4-((1S,3aR,4R,6aR)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl)-2-methoxyphenol | Phillygenol | (+)-SYLVATESMIN | AS-56623 | BRD-K69431605-001-01-7 | DTXSID80197588 | Phillygenol; Epipinoresinol methyl ether

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Phillygenin (Sylvatesmin), a bioactive intergradient in Osmanthus fragrans, has anti-inflammatory, anti-obesity and antipyretic activities. It could reduce blood lipid levels and low density lipoprotein.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Product Properties

ALogP

2.409

HBD Count

1

Rotatable Bond

5

Names and Identifiers

Pubchem Sid

528766756

Canonical Smiles

COC1=C(C=C(C=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC)OC

IUPAC Name

4-[(3S,3aR,6R,6aR)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol

InChIKey

CPJKKWDCUOOTEW-YJPXFSGGSA-N

INCHI

1S/C21H24O6/c1-23-17-7-5-13(9-19(17)25-3)21-15-11-26-20(14(15)10-27-21)12-4-6-16(22)18(8-12)24-2/h4-9,14-15,20-22H,10-11H2,1-3H3/t14-,15-,20+,21-/m0/s1

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)OC

PubChem CID

3083590

Molecular Weight

372.41

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lignans, neolignans and related compounds
• Class: Furanoid lignans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Furanoid lignans
• Alternative Parents: Furofuran lignans Methoxyphenols Dimethoxybenzenes Phenoxy compounds Furofurans Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxolanes Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furanoid lignan - Furofuran lignan skeleton - Methoxyphenol - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenoxy compound - Furofuran - Phenol ether - Methoxybenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Oxolane - Ether - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: sensitive to light
• DMSO(mg / mL) Max Solubility: 74
• DMSO(mM) Max Solubility: 198.705727558336
• Water(mg / mL) Max Solubility: -1
• Molecular Weight: 372.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 372.157 Da
• Monoisotopic Mass: 372.157 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 487.000
• 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