Phyto4Health

Licoriquinone B

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL3125427
PubChem: 56925921
IUPAC: 4-hydroxy-5-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]-3-(3-methylbut-2-enyl)cyclohexa-3,5-diene-1,2-dione
Standard InChI: InChI=1S/C26H30O6/c1-14(2)6-8-17-21(27)12-23-20(26(17)31-5)10-16(13-32-23)19-11-22(28)25(30)18(24(19)29)9-7-15(3)4/h6-7,11-12,16,27,30H,8-10,13H2,1-5H3/t16-/m0/s1
Standard InChI Key: LUEGFADCLCQHCT-INIZCTEOSA-N
SMILES: COc1c2C[C@@H](COc2cc(c1CC=C(C)C)O)C1=CC(=O)C(=C(C1=O)CC=C(C)C)O

Molecular propeties

AlogP: 4.71
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 2
Rotatable bonds: 6
Number of rings: 3
Molecular Weight: 438.2
Topological polar surface area: 93.1
Number of aromatic rings: 1
Fsp3: 0.308
Number of carbons: 26

Plant sources

Part of plant Plant name Ref.
PlantGlycyrrhiza uralensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.