Chebulic acid - Moligand™, ≥98% , CAS No.23725-05-5

CAS: 23725-05-5 Cat. No.: C1340727 분자식: C₁₄H₁₂O₁₁ 분자량: 356.24 PubChem CID: 71308174

GRADE & PURITY Moligand™, ≥98%

Synonyms

(2S)-2-[(3S)-3,4-Dihydro-3α-carboxy-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4β-yl]butanedioicacid | Butanedioicacid,[(3S,4S)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-,(2S)- | Chebulicacid | Splitacid | CHEBULICACID(SH) | (2S)-[(3S

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Chebulic acid is a phenolic acid compound isolated from Terminalia chebula with strong antioxidant activity, which breaks protein cross-links induced by advanced glycation end products (AGEs) and inhibits the formation of AGEs. Chebulic acid is effective in controlling elevated metabolic parameters, oxidative stress, and liver damage, supporting its beneficial role in asthma, diabetes, and liver protection.

Specifications

동의어

(2S)-2-[(3S)-3,4-Dihydro-3α-carboxy-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4β-yl]butanedioicacid | Butanedioicacid,[(3S,4S)-3-carboxy-3,4-dihydro-5,6,7-trihydroxy-1-oxo-1H-2-benzopyran-4-yl]-,(2S)- | Chebulicacid | Splitacid | CHEBULICACID(SH) | (2S)-[(3S

사양 및 순도

Moligand™, ≥98%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• 정식 스마일: C1=C2C(=C(C(=C1O)O)O)C(C(OC2=O)C(=O)O)C(CC(=O)O)C(=O)O
• IUPAC Name: (2S)-2-[(3S,4S)-3-carboxy-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromen-4-yl]butanedioic acid
• InChIKey: COZMWVAACFYLBI-XJEVXTIOSA-N
• INCHI: 1S/C14H12O11/c15-5-1-4-7(10(19)9(5)18)8(3(12(20)21)2-6(16)17)11(13(22)23)25-14(4)24/h1,3,8,11,15,18-19H,2H2,(H,16,17)(H,20,21)(H,22,23)/t3-,8-,11-/m0/s1
• 이성체 SMILES: C1=C2C(=C(C(=C1O)O)O)[C@@H]([C@H](OC2=O)C(=O)O)[C@H](CC(=O)O)C(=O)O
• PubChem CID: 71308174
• 분자량: 356.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Gallic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives
• Direct Parent: Gallic acid and derivatives
• Alternative Parents: 2-benzopyrans Tricarboxylic acids and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Lactones Carboxylic acid esters Polyols Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Gallic acid or derivatives - Benzopyran - Isochromane - 2-benzopyran - Tricarboxylic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.
• 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
• 분자량: 356.240 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 356.038 Da
• Monoisotopic Mass: 356.038 Da
• Topological Polar Surface Area: 199.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 587.000
• 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