Phyto4Health

Plantarenaloside

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL3622814
PubChem: 155882
IUPAC: (1S,4aR,7R,7aR)-4a-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde
Standard InChI: InChI=1S/C16H24O9/c1-7-2-3-16(22)8(4-17)6-23-14(10(7)16)25-15-13(21)12(20)11(19)9(5-18)24-15/h4,6-7,9-15,18-22H,2-3,5H2,1H3/t7-,9-,10+,11-,12+,13-,14+,15+,16+/m1/s1
Standard InChI Key: QCCRICPXIMDIGF-FHZCTKOVSA-N
SMILES: OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@]3([C@H]2[C@H](C)CC3)O)C=O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -1.98
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 5
Rotatable bonds: 4
Number of rings: 3
Molecular Weight: 360.14
Topological polar surface area: 146
Number of aromatic rings: 0
Fsp3: 0.812
Number of carbons: 16

Plant sources

Part of plant Plant name Ref.
PlantPlantago major
PlantPlantago major
PlantPlantago major

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others36.3 %Cyclooxygenase-1P23219
Others36.6 %Cyclooxygenase-1P23219
Others39.9 %Cyclooxygenase-1P23219
Others30 %Cyclooxygenase-2P35354
Others30 %Cyclooxygenase-2P35354
Others30 %Cyclooxygenase-2P35354