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COCONUT Compound

499-97-8

CNP0372229.0 · C10H16 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name499-97-8
IUPAC Name1-isopropenyl-4-methylene-cyclohexane
COCONUT IDCNP0372229.0
InChIKeyGOQRXDTWKVYHJH-UHFFFAOYSA-N
InChIInChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h10H,1,3-7H2,2H3
SMILESC=C1CCC(C(=C)C)CC1

Properties

Molecular FormulaC10H16
Molecular Weight136.24
Exact Mass136.12520
Log P (ALogP)3.31
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.49
NP-likeness2.11

Classification

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

Reported in GR-MAPs Plants

Eucalyptus citriodora as “Eucalyptus citriodora” in COCONUT

References (13)

  1. 10.1016/J.INDCROP.2014.04.048
  2. 10.1016/S0926-6690(03)00076-1
  3. 10.1021/JF00023A054
  4. 10.1021/JO040272A
  5. 10.1021/NP030475E
  6. 10.1080/10412905.1993.9698205
  7. 10.1080/10412905.1994.9698316
  8. 10.1080/10412905.1995.9700529
  9. 10.1080/10412905.2010.9700320
  10. 10.1080/10412905.2018.1431966
  11. 10.1080/14786419.2012.682996
  12. 10.3390/MOLECULES21060814
  13. 10.3390/MOLECULES24234244

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.