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COCONUT Compound

10482-56-1

CNP0311257.2 · C10H18O · View on COCONUT ↗

2D Structure

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Identifiers

Name10482-56-1
IUPAC Name2-[(1~{S})-4-methylcyclohex-3-en-1-yl]propan-2-ol
COCONUT IDCNP0311257.2
CAS10482-56-1
InChIKeyWUOACPNHFRMFPN-SECBINFHSA-N
InChIInChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1
SMILESCC1=CC[C@@H](C(C)(C)O)CC1

Properties

Molecular FormulaC10H18O
Molecular Weight154.25
Exact Mass154.13577
Log P (ALogP)2.50
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.58
NP-likeness2.44

Classification

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

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia annua; Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Mentha Arvensis as “Mentha arvensis; Mentha arvensis L.” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Valeriana jatamansi as “Valeriana jatamansi” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Eucalyptus citriodora as “Corymbia citriodora; Eucalyptus citriodora” in COCONUT

References (104)

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  30. 10.1016/J.FOODCHEM.2010.08.043
  31. 10.1016/J.FOODRES.2012.03.015
  32. 10.1016/J.INDCROP.2012.02.029
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  36. 10.1016/J.INDCROP.2017.12.016
  37. 10.1016/J.JEP.2008.07.023
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  39. 10.1016/J.JPLPH.2018.10.006
  40. 10.1016/J.PHYMED.2007.03.013

Showing 40 of 104. See all references on 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.