Phyto4Health

Mangiferin

Representations & DB's id

ChEBI: CHEBI:6682
ChEMBL: CHEMBL464825
PubChem: 5281647
IUPAC: 1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
Standard InChI: InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
Standard InChI Key: AEDDIBAIWPIIBD-ZJKJAXBQSA-N
SMILES: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)c1c(o2)cc(c(c1)O)O

Molecular propeties

AlogP: -0.72
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 8
Rotatable bonds: 2
Number of rings: 4
Molecular Weight: 422.08
Topological polar surface area: 197
Number of aromatic rings: 3
Fsp3: 0.316
Number of carbons: 19

Plant sources

Part of plant Plant name Ref.
PlantGentiana lutea
PlantPanax ginseng
HerbaHypericum perforatum
HerbaHypericum perforatum
HerbaHypericum perforatum
HerbaHypericum perforatum
RadixPolygala sibirica
PlantPolygala tenuifolia
PlantPolygala tenuifolia

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.