Phyto4Health

Liquiritin Apioside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL600792
PubChem: 46232263
IUPAC: (2S)-2-[4-[(2S,3R,4S,5S,6R)-3-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-hydroxy-2,3-dihydrochromen-4-one
Standard InChI: InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2/t17-,19+,20+,21-,22+,23+,24+,25+,26-/m0/s1
Standard InChI Key: FTVKHUHJWDMWIR-FRFGAYJHSA-N
SMILES: OC[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]2CC(=O)c3c(O2)cc(cc3)O)[C@@H]([C@H]([C@@H]1O)O)O[C@H]1OC[C@@]([C@@H]1O)(O)CO

Molecular propeties

AlogP: -1.26
Hydrogen bonds acceptors: 13
Hydrogen bonds donors: 7
Rotatable bonds: 7
Number of rings: 5
Molecular Weight: 550.17
Topological polar surface area: 205
Number of aromatic rings: 2
Fsp3: 0.5
Number of carbons: 26

Plant sources

Part of plant Plant name Ref.
PlantGlycyrrhiza glabra
PlantGlycyrrhiza uralensis
PlantGlycyrrhiza uralensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.