Structure Database (LMSD)

Common Name
(-)-Perillyl alcohol
Systematic Name
Synonyms
LM ID
LMPR0102090008
Formula
Exact Mass
Calculate m/z
152.120115
Status
Curated



Classification

Biological Context

(–)-Perillyl alcohol is a monoterpene alcohol that has been found in lavender essential oil and has diverse biological activities.1,2,3,4 It reduces production of hydroperoxidienes and thiobarbituric acid reactive substances (TBARS) in vitro in a concentration-dependent manner.2 (–)-Perillyl alcohol inhibits PANC-1 pancreatic carcinoma cell and H-Ras-transformed fibroblast growth when used at a concentration of 1 mM.3 It also inhibits the growth of P. aeruginosa, E. coli, S. aureus, and C. albicans (MICs = 480-2,900 ppm).4

This information has been provided by Cayman Chemical

References

2. Ruberto, G., and Baratta, M.T. Antioxidant activity of selected essential oil components in two lipid model systems. Food Chem. 69(2), 167-174 (2000).
4. Griffin, S.G., Wyllie, S.G., Markham, J.L., et al. The role of structure and molecular properties of terpenoids in determining their antimicrobial activity. Flavour Fragr. J. 14(5), 322-332 (1999).

String Representations

InChiKey (Click to copy)
NDTYTMIUWGWIMO-SNVBAGLBSA-N
InChi (Click to copy)
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1
SMILES (Click to copy)
C1C[C@H](C(=C)C)CC=C1CO

Other Databases

KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 1
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 172.71
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.57
Molar Refractivity 47.81

Admin

Created at
-
Updated at
-