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

CAS: 23725-05-5 Cat. No.: C1340727 Molecular Weight: 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

Overview

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

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

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 356.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 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