Phyto4Health

Gomisin F

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1081698
PubChem: 6325287
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] 3-methylbut-2-enoate
Standard InChI: InChI=1S/C28H34O9/c1-14(2)9-20(29)37-27-17-12-19-24(36-13-35-19)26(34-8)22(17)21-16(10-15(3)28(27,4)30)11-18(31-5)23(32-6)25(21)33-7/h9,11-12,15,27,30H,10,13H2,1-8H3/t15-,27-,28-/m0/s1
Standard InChI Key: LCQKYZXWCLBYHK-WIKKSFEZSA-N
SMILES: COc1c2OCOc2cc2c1c1c(cc(c(c1OC)OC)OC)C[C@@H]([C@]([C@H]2OC(=O)C=C(C)C)(C)O)C

Molecular propeties

AlogP: 4.61
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 1
Rotatable bonds: 6
Number of rings: 4
Molecular Weight: 514.22
Topological polar surface area: 102
Number of aromatic rings: 2
Fsp3: 0.464
Number of carbons: 28

Plant sources

Part of plant Plant name Ref.
PlantSchisandra chinensis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.