Structure

Glycyrrhizic Acid

CAS
1405-86-3
Catalog Number
ACM1405863
Category
Inhibitors
Molecular Weight
822.93
Molecular Formula
C42H62O16

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Specification

Description
Glycyrrhizic acid is a triterpenoid saponinl, acting as a direct HMGB1 antagonist, with anti-tumor, anti-diabetic activities.
Synonyms
3-O-(2-O-β-D-Glucopyranuronosyl-α-D-glucopyranuronosyl)-18β-glycyrrhetinic acid
IUPAC Name
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-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]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical 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
InChI
InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1
InChI Key
LPLVUJXQOOQHMX-QWBHMCJMSA-N
Boiling Point
681.01 °C
Melting Point
220 °C
Density
1.144 g/ml
Solubility
Easily soluble in hot water
Appearance
White powder
Storage
Powder-20°C, 3 years; 4°C, 2 years; In solvent-80°C, 6 months; -20°C, 1 month.
Active Content
90%
Effective Constituent
Glycyrrhizic acid
Exact Mass
822.40378589
Isomeric SMILES
C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O
Monoisotopic Mass
822.40378589
Physical State
Solid
pKa
2.76±0.70
Plant Origin
Glycyrrhiza uralensis Fisch
Refractive Index
61 ° (C=1.5, EtOH)
Shipping
Can be shipped at room temperature, where not in use may vary.
Source
PlantsLeguminosaeGlycyrrhiza uralensis Fisch.
Storage Conditions
Inert atmosphere,2-8 °C
Topological Polar Surface Area
267 Ų
What is the molecular formula of Glycyrrhizic Acid?

The molecular formula of Glycyrrhizic Acid is C42H62O16.

Where is Glycyrrhizic Acid extracted from?

Glycyrrhizic Acid is extracted from the root of the licorice plant; Glycyrrhiza glabra.

What is the role of Glycyrrhizic Acid in terms of enzymatic inhibition?

Glycyrrhizic Acid has a role as an EC 3.4.21.5 (thrombin) inhibitor.

When was Glycyrrhizic Acid created and last modified?

Glycyrrhizic Acid was created on 2004-09-16 and last modified on 2023-12-30.

In which countries has Glycyrrhizic Acid been approved for use as a hepatoprotective drug?

Glycyrrhizic Acid has been developed in Japan and China as a hepatoprotective drug in cases of chronic hepatitis.

What is the molecular weight of Glycyrrhizic Acid?

The molecular weight of Glycyrrhizic Acid is 822.9 g/mol.

What is another name for Glycyrrhizic Acid?

Another name for Glycyrrhizic Acid is Glycyrrhizin.

What is the CAS number for Glycyrrhizic Acid?

The CAS number for Glycyrrhizic Acid is 1405-86-3.

What are some synonyms for Glycyrrhizic Acid?

Some synonyms for Glycyrrhizic Acid include Glycyrrhizinic acid and Glycyron.

What organisms are known to contain Glycyrrhizic Acid as a natural product?

Glycyrrhizic Acid is a natural product found in Hypomontagnella monticulosa, Abrus precatorius, and other organisms.

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