|
Menu

COCONUT Compound

l-Menthol

CNP0243697.6 · C10H20O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Namel-Menthol
IUPAC Name(1~{R},2~{S},5~{R})-2-isopropyl-5-methyl-cyclohexanol
COCONUT IDCNP0243697.6
CAS2216-51-5, 89-78-1, 98167-53-4, 114376-98-6
InChIKeyNOOLISFMXDJSKH-KXUCPTDWSA-N
InChIInChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O

Properties

Molecular FormulaC10H20O
Molecular Weight156.27
Exact Mass156.15142
Log P (ALogP)2.44
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.62
NP-likeness1.86

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassMenthane monoterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassMonoterpenoids

Reported in GR-MAPs Plants

Ocimum basilicum as “Ocimum basilicum” in COCONUT
Mentha piperita as “Mentha Piperita; Mentha X piperita; Mentha x piperita L.” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Chlorophytum brovillianum as “Chlorophytum borivilianum” in COCONUT

References (12)

  1. 10.1002/(sici)1099-1026(199909/10)14:5<322::aid-ffj837>3.0.co;2-4
  2. 10.1002/CBIC.200500174
  3. 10.1002/cbic.200500174
  4. 10.1007/BF00576108
  5. 10.1017/S0022149X00033812
  6. 10.1017/s0022149x00033812
  7. 10.1080/0972060X.2008.10643675
  8. 10.1080/10942912.2016.1155057
  9. 10.1096/fj.06-6927com
  10. 10.1128/AEM.00362-14
  11. 10.1177/0091270004268409
  12. 10.1371/journal.pone.0073076

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.