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COCONUT Compound

(1R,2S,4R)-(+)-Bornyl acetate

CNP0222907.7 · C12H20O2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name(1R,2S,4R)-(+)-Bornyl acetate
IUPAC Name[(2~{S})-1,7,7-trimethylnorbornan-2-yl] acetate
COCONUT IDCNP0222907.7
InChIKeyKGEKLUUHTZCSIP-YZRBJQDESA-N
InChIInChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9?,10-,12?/m0/s1
SMILESCC(=O)O[C@H]1CC2CCC1(C)C2(C)C

Properties

Molecular FormulaC12H20O2
Molecular Weight196.29
Exact Mass196.14633
Log P (ALogP)2.76
TPSA26.30
H-Bond Donors / Acceptors0 / 2
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.60
NP-likeness2.33

Classification

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

Reported in GR-MAPs Plants

Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Valeriana jatamansi as “Valeriana jatamansi” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT

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.