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Chemical structure of Desmethoxyyangonin

GC30392

Desmethoxyyangonin

Also listed as Desmethoxyyangonin (Demethoxyyangonin)

Desmethoxyyangonin (Demethoxyyangonin) is one of the six major kavalactones found in the Piper methysticum (kava) plant; reversible inhibitor of MAO-B

ChemicalCAS15345-89-8MW228.24FormulaC14H12O3
CAS number
15345-89-8
Molecular weight
228.24
Formula
C14H12O3
Solubility
DMSO ： 14·29 mg/mL (62·61 mM; ultrasonic and warming and heat to 60°C)
InChIKey
DKKJNZYHGRUXBS-BQYQJAHWSA-N
Catalogue number
GC30392
Brand
GLPBIO
Computed properties PubChem CID 5273621 · XLogP 2.8 · TPSA 35.5 Ų · H-bond donors 0
XLogP
2.8
TPSA
35.5 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

SMILES COC1=CC(=O)OC(=C1)/C=C/C2=CC=CC=C2

Computed descriptors from PubChem (CID 5273621), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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