Yuankanin - Moligand™,≥98% , CAS No.77099-20-8

CAS: 77099-20-8 Cat. No.: Y664673 Formula: C₂₇H₃₀O₁₄ Molecular Weight: 578.52

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-(4-Hydroxyphenyl)-7-methoxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

2-(4-Hydroxyphenyl)-7-methoxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

Specifications & Purity

Moligand™,≥98%

Biochemical and Physiological Mechanisms

Yuankanin is a genkwanin-5-bioside, the sugar moiety being composed of xylose and glucose. Yuankanin can be isolated from the methanol extract of the aerial parts of Gnidia involucrata (Thymelaeaceae).

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

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

Grade

Moligand™

Purity

≥98%

Names and Identifiers

Canonical Smiles

COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O)C(=O)C=C(O2)C5=CC=C(C=C5)O

IUPAC Name

2-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

InChIKey

ZKIXACXWZQFVAB-MUCJXJSVSA-N

INCHI

1S/C27H30O14/c1-36-13-6-17-20(14(29)8-16(39-17)11-2-4-12(28)5-3-11)18(7-13)40-27-25(35)23(33)22(32)19(41-27)10-38-26-24(34)21(31)15(30)9-37-26/h2-8,15,19,21-28,30-35H,9-10H2,1H3/t15-,19-,21+,22-,23+,24-,25-,26+,27-/m1/s1

Isomeric SMILES

COC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)O)O)O)O)O)C(=O)C=C(O2)C5=CC=C(C=C5)O

Alternate CAS

77099-20-8

Molecular Weight

578.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass Flavonoid glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonoid O-glycosides
• Alternative Parents: 7-O-methylated flavonoids 4'-hydroxyflavonoids Monohydroxyflavonoids Flavones Phenolic glycosides Chromones O-glycosyl compounds Disaccharides Anisoles 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers Oxanes Benzene and substituted derivatives Vinylogous esters Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Acetals Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid-5-o-glycoside - Flavonoid o-glycoside - 7-methoxyflavonoid-skeleton - 4'-hydroxyflavonoid - Flavone - Hydroxyflavonoid - Monohydroxyflavonoid - Phenolic glycoside - Chromone - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Anisole - Pyranone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyran - Oxane - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Heteroaromatic compound - Secondary alcohol - Ether - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as flavonoid o-glycosides. These are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light and moisture sensitive
• Molecular Weight: 578.500 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 578.164 Da
• Monoisotopic Mass: 578.164 Da
• Topological Polar Surface Area: 214.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 924.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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