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COCONUT Compound

cis-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol

CNP0132209.2 · C10H18O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Namecis-4-(Isopropyl)-1-methylcyclohex-2-en-1-ol
IUPAC Name(1~{R},4~{R})-4-isopropyl-1-methyl-cyclohex-2-en-1-ol
COCONUT IDCNP0132209.2
CAS29803-82-5
InChIKeyIZXYHAXVIZHGJV-ZJUUUORDSA-N
InChIInChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10+/m1/s1
SMILESCC(C)[C@@H]1C=C[C@](C)(O)CC1

Properties

Molecular FormulaC10H18O
Molecular Weight154.25
Exact Mass154.13577
Log P (ALogP)2.36
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.57
NP-likeness3.55

Classification

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

Reported in GR-MAPs Plants

Daucus carota as “Daucus carota” in COCONUT

References (13)

  1. 10.1002/FFJ.2730070603
  2. 10.1002/FFJ.2730100605
  3. 10.1007/bf01012875
  4. 10.1016/0031-9422(90)85269-L
  5. 10.1016/J.JEP.2012.10.010
  6. 10.1016/s0031-9422(00)84946-8
  7. 10.1021/JF010219C
  8. 10.1021/JF4007856
  9. 10.1021/jf00089a027
  10. 10.1080/10412905.1994.9698399
  11. 10.1080/14786419.2017.1314278
  12. 10.1111/J.1750-3841.2012.02618.X
  13. 10.1631/JZUS.B1300230

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.