TPCN00890

Name Patchouli alcohol
Molecular Formula C15H26O
Molecular Weight 222.37
CAS Registry Number 5986-55-0
SMILES CC1CCC2(O)C(C)(C)C3CCC2(C)C1C3
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Pogostemon cablin Leaves 0.016100% J Nat Med 66(1): 55-61.(2012) 10.1007/s11418-011-0550-x
Properties
HBA 1 HBD 1
HeavyAtoms 16 AlogP 3.61
TPSA 20.23 RotatableBonds 0
FractionCSP3 1.00 Rings 4
AromaticRings 0 AliphaticRings 4