Phyto4Health

Tigloylgomisin H

Representations & DB's id
ChEBI: None
ChEMBL: CHEMBL1093179
PubChem: 5318766
IUPAC: [(9S,10S)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (E)-2-methylbut-2-enoate
Standard InChI: InChI=1S/C28H36O8/c1-10-15(2)27(29)36-26-21-17(12-19(31-5)24(26)34-8)11-16(3)28(4,30)14-18-13-20(32-6)23(33-7)25(35-9)22(18)21/h10,12-13,16,30H,11,14H2,1-9H3/b15-10+/t16-,28-/m0/s1
Standard InChI Key: ZSAUXCVJDYCLRS-QEEHVONISA-N
SMILES: C/C=C(/C(=O)Oc1c(OC)c(OC)cc2c1c1c(cc(c(c1OC)OC)OC)C[C@]([C@H](C2)C)(C)O)C

Molecular propeties
AlogP: 4.75
Hydrogen bonds acceptors: 8
Hydrogen bonds donors: 1
Rotatable bonds: 7
Number of rings: 3
Molecular Weight: 500.24
Topological polar surface area: 92.7
Number of aromatic rings: 2
Fsp3: 0.464
Number of carbons: 28

Plant sources

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

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.