Molecular Identity
Guaiazulene
1,4-dimethyl-7-propan-2-ylazulene
PubChem CID: 3515
Guaiazulene is a sesquiterpene. It derives from a hydride of a guaiane.
2D Structure
Properties
C15H18
Molecular Formula
198.30
Molecular Weight
g/mol
198.1409
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
0
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
0
H-Bond Acceptors
206
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)CIsomeric SMILES
SMILES: CC1=C2C=CC(=C2C=C(C=C1)C(C)C)CSynonyms(20)
guaiazulene489-84-91,4-Dimethyl-7-isopropylazulene7-Isopropyl-1,4-dimethylazuleneVetivazulenAzulonS-GuaiazuleneKessazulenPurazulenSilazulonUroazulenAzunolguaiazulenGuajazuleneVaumigan
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Guaiazulene
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