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COCONUT Compound

(-)-Myrtenol

CNP0246399.1 · C10H16O · View on COCONUT ↗

2D Structure

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Identifiers

Name(-)-Myrtenol
IUPAC Name[(1~{R},5~{S})-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
COCONUT IDCNP0246399.1
CAS19894-97-4
InChIKeyRXBQNMWIQKOSCS-IUCAKERBSA-N
InChIInChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m0/s1
SMILESCC1(C)[C@H]2CC=C(CO)[C@@H]1C2

Properties

Molecular FormulaC10H16O
Molecular Weight152.24
Exact Mass152.12012
Log P (ALogP)1.97
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.57
NP-likeness2.72

Classification

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

Reported in GR-MAPs Plants

Artemisia annua as “Artemisia annua L.” in COCONUT
Daucus carota as “Daucus carota” in COCONUT

References (11)

  1. 10.1002/(sici)1099-1026(199909/10)14:5<322::aid-ffj837>3.0.co;2-4
  2. 10.1007/S000490050010
  3. 10.1016/0031-9422(88)83114-5
  4. 10.1016/0031-9422(95)00492-P
  5. 10.1016/0305-1978(89)90100-2
  6. 10.1016/S0031-9422(97)00117-9
  7. 10.1016/S0040-4020(01)98474-1
  8. 10.1016/s0021-9673(99)01009-2
  9. 10.1023/B:CONC.0000025459.72590.9E
  10. 10.1055/S-0028-1097609
  11. 10.1139/V69-334

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.