English

English العربية فارسی 中文日本語

chebulagic acid

Structure via PubChem · Public domain (PubChem)

EntityQ5089009· pop 9· linked from 53 articles

chebulagic acid

Sign in to save

chemical compound

In the Vinony graph

Vinony's link graph records 53 inbound references to chebulagic acid, and connects out to digital object identifier, chemical formula and molar mass.

It sits within the topics Chembox image size set, Ellagitannins and Phenol antioxidants.

Vinony links it to 10 Wikipedia language editions.

Chemical data

Formula: C41H30O27
Molecular weight: 954.7 g/mol
IUPAC name: 2-[(4R,5S,7R,25S,26R,29S,30S,31S)-13,14,15,18,19,20,31,35,36-nonahydroxy-2,10,23,28,32-pentaoxo-5-(3,4,5-trihydroxybenzoyl)oxy-3,6,9,24,27,33-hexaoxaheptacyclo[28.7.1.04,25.07,26.011,16.017,22.034,38]octatriaconta-1(37),11,13,15,17,19,21,34(38),35-nonaen-29-yl]acetic acid
SMILES: C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@H]([C@@H](C(=O)O3)CC(=O)O)[C@@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
InChIKey: HGJXAVROWQLCTP-YABCKIEDSA-N
XLogP: 0.4
Polar surface area: 447 Å²
H-bond donors: 13
H-bond acceptors: 27
Formal charge: 0

via PubChem

Drug data · ChEMBL

Molecule type: Small molecule

via ChEMBL · EBI

Research

152 papers

Both chebulagic acid and punicalagin inhibit respiratory syncytial virus entry via multi-targeting glycoprotein and fusion protein.Journal of virology · 2024
Chebulagic acid suppresses gastric cancer by inhibiting the AURKA/β-catenin/Wnt pathway.Frontiers in pharmacology · 2023
Preparation and stability of chebulagic acid and chebulinic acid from Terminalia chebula and their biological activity.Pakistan journal of pharmaceutical sciences · 2024
Chebulinic and chebulagic acid binding with serum proteins: biophysical and molecular docking approach.Journal of biomolecular structure & dynamics · 2023
Chebulagic acid ameliorates DSS-induced colitis in mice by improving oxidative stress, inflammation and the gut microbiota.American journal of translational research · 2025

Wikidata facts

Subclass of: macrolides
Mass: 954.097446

Show 4 more facts

canonical SMILES: C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
chemical formula: C₄₁H₃₀O₂₇
found in taxon: Triadica sebifera
isomeric SMILES: C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@H]([C@@H](C(=O)O3)CC(=O)O)[C@@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O

Sources (1)

wikidata.org

via Wikidata · CC0

Available in 10 languages

via Wikidata sitelinks · CC0

Categories

Chembox image size set Ellagitannins Phenol antioxidants