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COCONUT Compound

(+)-Juniper Camphor

CNP0225489.2 · C15H26O · View on COCONUT ↗

2D Structure

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Identifiers

Name(+)-Juniper Camphor
IUPAC Name(1~{R},4~{a}~{R},8~{a}~{R})-7-isopropylidene-1,4~{a}-dimethyl-decalin-1-ol
COCONUT IDCNP0225489.2
InChIKeySTRABSCAWZINIF-RBSFLKMASA-N
InChIInChI=1S/C15H26O/c1-11(2)12-6-9-14(3)7-5-8-15(4,16)13(14)10-12/h13,16H,5-10H2,1-4H3/t13-,14-,15-/m1/s1
SMILESCC(C)=C1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1

Properties

Molecular FormulaC15H26O
Molecular Weight222.37
Exact Mass222.19837
Log P (ALogP)4.06
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.61
NP-likeness3.03

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassEudesmane sesquiterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassSesquiterpenoids

Reported in GR-MAPs Plants

Cymbopogon flexuosus as “Cymbopogon Flexuosus” in COCONUT
Artemisia annua as “Artemisia annua” in COCONUT
Daucus carota as “Daucus carota; Daucus carota subsp. carota” in COCONUT

References (13)

  1. 10.1002/CBDV.201400340
  2. 10.1016/0031-9422(82)80032-0
  3. 10.1016/S0031-9422(00)83890-X
  4. 10.1016/S0031-9422(00)88102-9
  5. 10.1016/S0031-9422(98)80077-0
  6. 10.1016/S0031-9422(99)00159-4
  7. 10.1016/s0031-9422(00)88102-9
  8. 10.1021/JF070674U
  9. 10.1080/10412905.1994.9698337
  10. 10.1080/10412905.2013.796498
  11. 10.1365/S10337-008-0921-Y
  12. 10.1515/ZNB-2011-0413
  13. 10.3390/MOLECULES16043146

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.