Guaiol

Compound Structure:

Synonyms:

2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol; Guaiol; Champacol; Guaiac alcohol; (-)-Guaiol; Champaca camphor; Guai-1(5)-en-11-ol; GUAIOL(-); 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, (3S

Compound ID:

NMPC-1092

PubChem ID:

227829

Molecular Formula:

C15H26O

Canonical SMILES:

CC1CCC(CC2=C1CCC2C)C(C)(C)O

InChIKey:

TWVJWDMOZJXUID-SDDRHHMPSA-N

About the compound:

Guaiol or champacol is an organic compound, a sesquiterpenoid alcohol found in several plants, especially in the oil of guaiacum and cypress pine. It is a crystalline solid that melts at 92 °C.[2] Guaiol is one of many terpenes found in Cannabis and it has been associated with anxiolytic activity.

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	222.37 g/mol
XLogP3-AA	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	222.198365449 g/mol
Monoisotopic Mass	222.198365449 g/mol
Topological Polar Surface Area	20.2Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	301
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Eugenia uniflora

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