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Chemical structure of Glycyrrhizic acid

GN10553

Glycyrrhizic acid

Also known as 6-[6-carboxy-2-[(11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Glycyrrhizic acid is the active ingredient triterpenoid saponin in licorice· It is an antagonist of high mobility group protein 1 (HMGB1) with a Kd value of 4·03μM

ChemicalCAS1405-86-3MW822.94FormulaC42H62O16
CAS number
1405-86-3
Molecular weight
822.94
Formula
C42H62O16
Solubility
≥ 82·4mg/mL in EtOH with gentle warming, ≥ 36·55mg/mL in DMSO
InChIKey
LPLVUJXQOOQHMX-UHFFFAOYSA-N
Catalogue number
GN10553
Brand
GLPBIO
Computed properties PubChem CID 3495 · XLogP 3.7 · TPSA 267 Ų · H-bond donors 8
XLogP
3.7
TPSA
267 Ų
H-bond donors
8
H-bond acceptors
16
Rotatable bonds
7
Heavy atoms
58

SMILES CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C

Computed descriptors from PubChem (CID 3495), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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