Phyto4Health

Neolancerin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL2436931
PubChem: 73346478
IUPAC: 1,3,7-trihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Standard InChI: InChI=1S/C19H18O11/c20-5-11-14(24)16(26)17(27)19(29-11)30-18-8(22)4-10-12(15(18)25)13(23)7-3-6(21)1-2-9(7)28-10/h1-4,11,14,16-17,19-22,24-27H,5H2/t11-,14-,16+,17-,19+/m1/s1
Standard InChI Key: CTPSYMVKWIMJIS-GPRNFGOXSA-N
SMILES: OC[C@H]1O[C@@H](Oc2c(O)cc3c(c2O)c(=O)c2c(o3)ccc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: -0.76
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 7
Rotatable bonds: 3
Number of rings: 4
Molecular Weight: 422.08
Topological polar surface area: 186
Number of aromatic rings: 3
Fsp3: 0.316
Number of carbons: 19

Plant sources

Part of plant Plant name Ref.
PlantPolygala tenuifolia

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.