Phyto4Health

Gomisin G

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL515928
PubChem: 14992067
IUPAC: [(9S,10S,11S)-10-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] benzoate
Standard InChI: InChI=1S/C30H32O9/c1-16-12-18-13-20(33-3)24(34-4)26(35-5)22(18)23-19(14-21-25(27(23)36-6)38-15-37-21)28(30(16,2)32)39-29(31)17-10-8-7-9-11-17/h7-11,13-14,16,28,32H,12,15H2,1-6H3/t16-,28-,30-/m0/s1
Standard InChI Key: OFDWKHIQKPKRKY-DSASHONVSA-N
SMILES: COc1c2OCOc2cc2c1c1c(C[C@@H]([C@]([C@H]2OC(=O)c2ccccc2)(C)O)C)cc(c(c1OC)OC)OC

Molecular propeties

AlogP: 4.96
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 1
Rotatable bonds: 6
Number of rings: 5
Molecular Weight: 536.2
Topological polar surface area: 102
Number of aromatic rings: 3
Fsp3: 0.367
Number of carbons: 30

Plant sources

Part of plant Plant name Ref.
PlantSchisandra chinensis
PlantSchisandra chinensis
PlantSchisandra chinensis
PlantSchisandra chinensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.