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COCONUT Compound

alpha-Campholenal

CNP0167945.2 · C10H16O · View on COCONUT ↗

2D Structure

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Identifiers

Namealpha-Campholenal
IUPAC Name2-[(1~{R})-2,2,3-trimethylcyclopent-3-en-1-yl]acetaldehyde
COCONUT IDCNP0167945.2
CAS4501-58-0
InChIKeyOGCGGWYLHSJRFY-SECBINFHSA-N
InChIInChI=1S/C10H16O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,7,9H,5-6H2,1-3H3/t9-/m1/s1
SMILESCC1=CC[C@H](CC=O)C1(C)C

Properties

Molecular FormulaC10H16O
Molecular Weight152.24
Exact Mass152.12012
Log P (ALogP)2.57
TPSA17.07
H-Bond Donors / Acceptors0 / 1
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.44
NP-likeness2.28

Classification

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

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT

References (21)

  1. 10.1002/(SICI)1097-0231(199608)10:11<1345::AID-RCM631>3.0.CO;2-4
  2. 10.1002/CBDV.201400340
  3. 10.1002/FFJ.2730100313
  4. 10.1002/JSSC.200900378
  5. 10.1007/S10086-018-1773-1
  6. 10.1016/J.ARABJC.2012.04.042
  7. 10.1016/J.BSE.2010.01.009
  8. 10.1016/J.PHYTOCHEM.2006.04.025
  9. 10.1016/J.PHYTOCHEM.2009.06.013
  10. 10.1016/S0926-6690(03)00076-1
  11. 10.1055/S-0028-1097609
  12. 10.1055/S-2006-957489
  13. 10.1055/S-2006-957641
  14. 10.1080/10412905.1993.9698250
  15. 10.1080/10412905.2003.9698595
  16. 10.1080/10412905.2004.9698740
  17. 10.1080/10412905.2004.9698744
  18. 10.1080/10412905.2010.9700338
  19. 10.1111/j.1570-7458.2008.00757.x
  20. 10.1177/1934578X0800301225
  21. 10.1248/CPB.54.222

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.