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COCONUT Compound

nerol

CNP0244258.2 · C10H18O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Namenerol
IUPAC Name(2Z)-3,7-dimethylocta-2,6-dien-1-ol
COCONUT IDCNP0244258.2
CAS106-25-2, CAS-106-25-2
InChIKeyGLZPCOQZEFWAFX-YFHOEESVSA-N
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
SMILESCC(C)=CCC/C(C)=C\CO

Properties

Molecular FormulaC10H18O
Molecular Weight154.25
Exact Mass154.13577
Log P (ALogP)2.67
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.62
NP-likeness2.91

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassAcyclic monoterpenoids
Chemical Superclass
Chemical Class
Chemical Subclass

Reported in GR-MAPs Plants

Pelargonium graveolens as “Pelargonium graveolens” in COCONUT
Catharanthus roseus as “Catharanthus roseus” in COCONUT
Centella asiatica as “Centella asiatica” in COCONUT
Cymbopogon flexuosus as “Cymbopogon flexuosus” in COCONUT
Ocimum basilicum as “Ocimum basilicum” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Artemisia annua as “Artemisia annua” in COCONUT
Mentha piperita as “Mentha piperita” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Hyssopus officinalis as “Hyssopus officinalis” in COCONUT
Cinnamomum verum as “Cinnamomum zeylanicum” in COCONUT
Cymbopogon martini as “Cymbopogon martinii” in COCONUT
Eucalyptus citriodora as “Corymbia citriodora; Eucalyptus citriodora” in COCONUT
Emblica officinalis as “Phyllanthus emblica” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (195)

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  33. 10.1016/0031-9422(95)00522-9
  34. 10.1016/0378-8741(91)90062-I
  35. 10.1016/0378-8741(91)90187-I
  36. 10.1016/J.CHROMA.2014.10.058
  37. 10.1016/J.EXPPARA.2013.01.018
  38. 10.1016/J.FOODCHEM.2006.01.045
  39. 10.1016/J.FOODCHEM.2010.08.043
  40. 10.1016/J.FOODCHEM.2013.11.092

Showing 40 of 195. 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.