Kava
2-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-4-methoxy-2,3-dihydropyran-6-one
Molecular Identity
Kava
2-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-4-methoxy-2,3-dihydropyran-6-one
PubChem CID: 5281052
2D Structure
Properties
C14H16O3
Molecular Formula
232.27
Molecular Weight
g/mol
232.1099
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
35.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
413
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC(=O)OC(C1)C=CC2=CCCC=C2Isomeric SMILES
SMILES: COC1=CC(=O)OC(C1)/C=C/C2=CCCC=C2Synonyms(12)
KavaRefChem:10879766-((E)-2-(cyclohexa-1,5-dien-1-yl)ethenyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one2-[(E)-2-cyclohexa-1,5-dien-1-ylethenyl]-4-methoxy-2,3-dihydropyran-6-one958725-56-9SCHEMBL29878786EBC-26260DB01322EN300-28265881Q27092746(E)-6-(2-(cyclohexa-1,5-dien-1-yl)vinyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one6-[(1E)-2-(cyclohexa-1,5-dien-1-yl)ethenyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one
Data from PubChem (NCBI)
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