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Chemical structure of Methysticin

GC41373

Methysticin

Also known as (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one

Methysticin is a kavalactone isolated from the kava roots

ChemicalCAS495-85-2MW274.3FormulaC15H14O5
CAS number
495-85-2
Molecular weight
274.3
Formula
C15H14O5
Solubility
DMF： 2·5 mg/mL,DMSO： 5 mg/mL,DMSO：PBS (pH 7·2) (1：6)： 0·14 mg/mL,Ethanol： 1 mg/mL
InChIKey
GTEXBOVBADJOQH-FWEMWIAWSA-N
Catalogue number
GC41373
Brand
GLPBIO
Computed properties PubChem CID 5281567 · XLogP 2.4 · TPSA 54 Ų · H-bond donors 0
XLogP
2.4
TPSA
54 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20

SMILES COC1=CC(=O)O[C@H](C1)/C=C/C2=CC3=C(C=C2)OCO3

Computed descriptors from PubChem (CID 5281567), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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