Compound	Glycyrrhizic acid ammonium salt
NPACT-Id	NPACT00631
IUPAC	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
Synonyms	glycyrrhizin; 29-Hydroxy-11,29-dioxoolean-12-en-3-yl 2-O-hexopyranuronosylhexopyranosiduronic acid; Liquorice
PubChem Id	3495
Class	Terpenoids
In-vitro anticancer activity	4 cancer cell lines
In-Vivo anticancer activity	No
Targets	No targets found
Properties	Physical Elemental Topological
InChi Key	LPLVUJXQOOQHMX-UHFFFAOYSA-N
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,5
SMILES	O([C@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@@]4(C(=CC3=O)[C@H]3[C@](CC4)(CC[C@@](C3)(C)C(=O)O)C)C)(CC2)C)(CC1)C)(C)C)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)C(=O)O
SMART	[H]OC(=O)[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[C@]3([H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]5([H])C(=O)C([H])=C6[C@]7([H])C([H])([H])[C@@](C(=O)O[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]7(C([H])([H])[H])C([H])([H])C([H])([H])[C@]6(C([H])([H])[H])[C@]5(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]4([H])[C@]3(C([H])([H])[H])C([H])([H])[H])O[C@]([H])(C(=O)O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
CAS No.	1405-86-3
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	AAA Chemistry, ABI Chem, ChemFrog, ChemMol, IS Chemical Technology,
Drug-Likeliness Filters	Lipinski's rule of five	No
	Ghose filter	No
	Veber filter	No
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

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