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Chemical structure of β-Asarone

GC40574

β-Asarone

Also known as 1,2,4-trimethoxy-5-[(Z)-prop-1-enyl]benzene

β-Asarone is a major component of Acorus tatarinowii Schott rhizomes, has significant pharmacological effects on the central nervous system (CNS)

ChemicalCAS5273-86-9MW208.3FormulaC12H16O3
CAS number
5273-86-9
Molecular weight
208.3
Formula
C12H16O3
Solubility
DMF： 16 mg/ml,DMF：PBS(pH 7·2)(1：1)： 0·5 mg/ml,DMSO： 11 mg/ml,Ethanol： 14 mg/ml
InChIKey
RKFAZBXYICVSKP-WAYWQWQTSA-N
Catalogue number
GC40574
Brand
GLPBIO
Computed properties PubChem CID 5281758 · XLogP 3 · TPSA 27.7 Ų · H-bond donors 0
XLogP
3
TPSA
27.7 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15

SMILES C/C=C\C1=CC(=C(C=C1OC)OC)OC

Computed descriptors from PubChem (CID 5281758), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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