Phyto4Health

Schisantherin D

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL475880
PubChem: 163067
IUPAC: [(11S,12S,13S)-12-hydroxy-3,22-dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-yl] benzoate
Standard InChI: InChI=1S/C29H28O9/c1-15-10-17-11-19-23(36-13-34-19)25(32-3)21(17)22-18(12-20-24(26(22)33-4)37-14-35-20)27(29(15,2)31)38-28(30)16-8-6-5-7-9-16/h5-9,11-12,15,27,31H,10,13-14H2,1-4H3/t15-,27-,29-/m0/s1
Standard InChI Key: PGEJVRVFUGSAJF-SSEZWIOCSA-N
SMILES: COc1c2OCOc2cc2c1c1c(C[C@@H]([C@]([C@H]2OC(=O)c2ccccc2)(C)O)C)cc2c(c1OC)OCO2

Molecular propeties

AlogP: 4.67
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 1
Rotatable bonds: 4
Number of rings: 6
Molecular Weight: 520.17
Topological polar surface area: 102
Number of aromatic rings: 3
Fsp3: 0.345
Number of carbons: 29

Plant sources

Part of plant Plant name Ref.
PlantSchisandra chinensis
PlantSchisandra chinensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.