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Chemical structure of Gomisin E

GC60178

Gomisin E

Also known as 12-hydroxy-18,19,20-trimethoxy-11,12,24,25-tetramethyl-4,6,9,14-tetraoxapentacyclo[13.7.3.03,7.08,22.016,21]pentacosa-1,3(7),8(22),16,18,20-hexaen-13-one

Gomisin E, a dibenzocyclooctadiene lignan isolated from the fruits of Schizandra chinensis, inhibits NFAT transcription with an IC50 of 4·73 μM

ChemicalCAS72960-21-5MW514.56FormulaC28H34O9
CAS number
72960-21-5
Molecular weight
514.56
Formula
C28H34O9
InChIKey
MLGBLGQFPHASJN-UHFFFAOYSA-N
Catalogue number
GC60178
Brand
GLPBIO
Computed properties PubChem CID 78385000 · XLogP 4.7 · TPSA 102 Ų · H-bond donors 1
XLogP
4.7
TPSA
102 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
37

SMILES CC1CC2=CC3=C(C4=C2C5=C(C(=C(C=C5C(C1C)OC(=O)C(C(CO4)C)(C)O)OC)OC)OC)OCO3

Computed descriptors from PubChem (CID 78385000), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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