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Chemical structure of Tussilagone

GC38976

Tussilagone

Also known as [1-(1-acetyloxyethyl)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydro-1H-inden-5-yl] (E)-3-methylpent-2-enoate

Tussilagone, a major active component in Tussilago farfara, has anti-inflammatory effect

ChemicalCAS104012-37-5MW390.51FormulaC23H34O5
CAS number
104012-37-5
Molecular weight
390.51
Formula
C23H34O5
Solubility
DMSO： 62·5 mg/mL (160·05 mM)
InChIKey
CFUPNMDNSQIWBB-UKTHLTGXSA-N
Catalogue number
GC38976
Brand
GLPBIO
Computed properties PubChem CID 13919184 · XLogP 4.1 · TPSA 69.7 Ų · H-bond donors 0
XLogP
4.1
TPSA
69.7 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
28

SMILES CC/C(=C/C(=O)OC1CC(C2C(C1=C)CC(=O)C2C(C)OC(=O)C)C(C)C)/C

Computed descriptors from PubChem (CID 13919184), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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