Picroside IV - Moligand™, ≥98% , CAS No.211567-04-3

CAS: 211567-04-3 Cat. No.: P648754 분자식: C₂₄H₂₈O₁₂ 분자량: 508.47 PubChem CID: 23928135

GRADE & PURITY Moligand™, ≥98%

Synonyms

((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(((1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(4-hydroxyphenyl)acrylate

Storage

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

Shipped In

Wet ice

개요

Picroside IV is an iridoid glycoside found in the underground parts of Picrorhiza scrophulariiflora. Picroside IV is a derivative of Catalpol . Catalpol has neuroprotective, hypoglycemic, anti-inflammatory, anti-cancer, anti-spasmodic, anti-oxidant effects and anti-HBV effects .

Specifications

동의어

((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(((1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(4-hydroxyphenyl)acrylate

사양 및 순도

Moligand™, ≥98%

보관 조건

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

배송

Wet ice

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O
• IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
• InChIKey: AKYYFSOMEOHPPO-LQQBYVAQSA-N
• INCHI: 1S/C24H28O12/c25-10-24-16-13(17(28)21(24)36-24)7-8-32-22(16)35-23-20(31)19(30)18(29)14(34-23)9-33-15(27)6-3-11-1-4-12(26)5-2-11/h1-8,13-14,16-23,25-26,28-31H,9-10H2/b6-3+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1
• 이성체 SMILES: C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)/C=C/C5=CC=C(C=C5)O)O)O)O
• PubChem CID: 23928135
• MeSH 용어: picroside IV
• 분자량: 508.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives
        • Level5 Hydroxycinnamic acid esters
          • Level6 Coumaric acid esters

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Hydroxycinnamic acid esters
• Direct Parent: Coumaric acid esters
• Alternative Parents: Cinnamic acid esters Coumaric acids and derivatives O-glycosyl compounds Styrenes 1-hydroxy-2-unsubstituted benzenoids Fatty acid esters Oxanes Monosaccharides Enoate esters Secondary alcohols Cyclic alcohols and derivatives Acetals Polyols Oxacyclic compounds Dialkyl ethers Epoxides Monocarboxylic acids and derivatives Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaric acid ester - Coumaric acid or derivatives - Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - Oxane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - Carboxylic acid ester - Polyol - Carboxylic acid derivative - Acetal - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Primary alcohol - Organic oxide - Hydrocarbon derivative - Alcohol - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as coumaric acid esters. These are aromatic compounds containing an ester derivative of coumaric acid.
• 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

화학 및 물리적 특성

• 감도: light sensitive; air sensitive
• 분자량: 508.500 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 508.158 Da
• Monoisotopic Mass: 508.158 Da
• Topological Polar Surface Area: 188.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 856.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1