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Chemical structure of Tigloylgomisin H

GC37791

Tigloylgomisin H

Also known as [(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

Tigloylgomisin H is a lignan isolated from the fruits of S· chinensis, can induce quinone reductase (QR) activity in Hepa1c1c7 mouse hepatocarcinoma cells· Tigloylgomisin H functions as a monofunctional inducer that specifically upregulates phase II detoxification enzyme NQO1 through the NF-E2-related factor 2 (Nrf2)-ARE pathway, thus represents a potential liver cancer prevention agent

ChemicalCAS66069-55-4MW500.58FormulaC28H36O8
CAS number
66069-55-4
Molecular weight
500.58
Formula
C28H36O8
Solubility
Soluble in DMSO
InChIKey
ZSAUXCVJDYCLRS-QEEHVONISA-N
Catalogue number
GC37791
Brand
GLPBIO
Computed properties PubChem CID 5318766 · XLogP 5 · TPSA 92.7 Ų · H-bond donors 1
XLogP
5
TPSA
92.7 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
36

SMILES C/C=C(\C)/C(=O)OC1=C2C(=CC(=C1OC)OC)C[C@@H]([C@@](CC3=CC(=C(C(=C32)OC)OC)OC)(C)O)C

Computed descriptors from PubChem (CID 5318766), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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