Licoagrone

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL2437367
PubChem:	5318993
IUPAC:	2-[4,5-dihydroxy-2-[(Z)-[6-hydroxy-7-(3-methylbut-2-enyl)-3-oxo-1-benzofuran-2-ylidene]methyl]phenyl]-6-hydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(3-methylbut-2-enyl)-1-benzofuran-3-one
Standard InChI:	InChI=1S/C45H42O10/c1-23(2)7-10-26-17-28(12-15-34(26)46)43(52)45(44(53)32-18-27(11-8-24(3)4)36(48)22-39(32)55-45)33-21-38(50)37(49)19-29(33)20-40-41(51)31-14-16-35(47)30(42(31)54-40)13-9-25(5)6/h7-9,12,14-22,46-50H,10-11,13H2,1-6H3/b40-20-
Standard InChI Key:	MEJLVLSNRYLDSG-MDCVPAOJSA-N
SMILES:	CC(=CCc1cc2c(cc1O)OC(C2=O)(C(=O)c1ccc(c(c1)CC=C(C)C)O)c1cc(O)c(cc1/C=C/1Oc2c(C1=O)ccc(c2CC=C(C)C)O)O)C

Molecular propeties
AlogP:	8.71
Hydrogen bonds acceptors:	10
Hydrogen bonds donors:	5
Rotatable bonds:	10
Number of rings:	6
Molecular Weight:	742.28
Topological polar surface area:	171
Number of aromatic rings:	4
Fsp3:	0.222
Number of carbons:	45

Plant sources

Part of plant	Plant name	Ref.
Plant	Glycyrrhiza glabra

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID	Ref.
Others	70 %	Dual specificity protein phosphatase 3	P51452
Others	4 %	T-cell protein-tyrosine phosphatase	P17706
IC50	6000 nM	Protein-tyrosine phosphatase 1B	P18031