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COCONUT Compound

Bornane

CNP0311699.1 · C10H18 · View on COCONUT ↗

2D Structure

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Identifiers

NameBornane
IUPAC Name1,7,7-trimethylnorbornane
COCONUT IDCNP0311699.1
InChIKeyBEWYHVAWEKZDPP-WAAGHKOSSA-N
InChIInChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
SMILESCC1(C)[C@H]2CC[C@]1(C)CC2

Properties

Molecular FormulaC10H18
Molecular Weight138.25
Exact Mass138.14085
Log P (ALogP)3.22
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.48
NP-likeness1.67

Classification

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

Reported in GR-MAPs Plants

Salvia officinalis as “Salvia officinalis” in COCONUT

References (6)

  1. 10.1007/BF00629951
  2. 10.1016/J.INDCROP.2014.04.048
  3. 10.1016/S0031-9422(00)83171-4
  4. 10.1016/S0031-9422(00)86727-8
  5. 10.1016/S0031-9422(98)00489-0
  6. 10.1074/JBC.273.24.14891

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.