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COCONUT Compound

gamma-Terpineol

CNP0325336.0 · C10H18O · View on COCONUT ↗

2D Structure

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Identifiers

Namegamma-Terpineol
IUPAC Name4-isopropylidene-1-methyl-cyclohexanol
COCONUT IDCNP0325336.0
CAS586-81-2
InChIKeyNNRLDGQZIVUQTE-UHFFFAOYSA-N
InChIInChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h11H,4-7H2,1-3H3
SMILESCC(C)=C1CCC(C)(O)CC1

Properties

Molecular FormulaC10H18O
Molecular Weight154.25
Exact Mass154.13577
Log P (ALogP)2.65
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.53
NP-likeness2.11

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 sanctum as “Ocimum tenuiflorum” in COCONUT
Ocimum tenuiflorum as “Ocimum tenuiflorum” in COCONUT
Cinnamomum verum as “Cinnamomum Zeylanicum” in COCONUT

References (22)

  1. 10.1002/1099-1573(200012)14:8<623::AID-PTR763>3.0.CO;2-Z
  2. 10.1002/1099-1573(200012)14:8<623::aid-ptr763>3.0.co;2-z
  3. 10.1002/FFJ.1187
  4. 10.1002/FFJ.2730070108
  5. 10.1002/FFJ.2730070109
  6. 10.1002/FFJ.2730070111
  7. 10.1007/BF00575168
  8. 10.1007/s10886-010-9846-7
  9. 10.1016/0031-9422(90)85421-B
  10. 10.1016/J.PHYTOCHEM.2006.04.025
  11. 10.1016/J.PHYTOL.2014.03.007
  12. 10.1016/S0305-1978(00)00062-4
  13. 10.1021/JF00046A030
  14. 10.1021/JF00065A004
  15. 10.1021/jf011456i
  16. 10.1055/S-2007-969476
  17. 10.1080/10412905.1993.9698232
  18. 10.1080/10412905.1994.9698443
  19. 10.14233/AJCHEM.2013.14346
  20. 10.3109/13880208709060907
  21. 10.3390/MOLECULES15117558
  22. 10.3390/MOLECULES24112053

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.