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COCONUT Compound

Decanoic acid

CNP0213238.0 · C10H20O2 · View on COCONUT ↗

2D Structure

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Identifiers

NameDecanoic acid
IUPAC Namedecanoic acid
COCONUT IDCNP0213238.0
CAS334-48-5
InChIKeyGHVNFZFCNZKVNT-UHFFFAOYSA-N
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
SMILESCCCCCCCCCC(=O)O

Properties

Molecular FormulaC10H20O2
Molecular Weight172.27
Exact Mass172.14633
Log P (ALogP)3.21
TPSA37.30
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds8
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.57
NP-likeness0.58

Classification

NP PathwayFatty acids
NP SuperclassFatty Acids and Conjugates
NP ClassBranched fatty acids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassFatty Acyls
Chemical SubclassFatty acids and conjugates

Reported in GR-MAPs Plants

Pelargonium graveolens as “Pelargonium graveolens” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Salvia officinalis as “Salvia officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Terminalia chebula as “Terminalia chebula” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (130)

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  32. 10.1016/J.ARABJC.2013.10.019
  33. 10.1016/J.CHROMA.2004.03.057
  34. 10.1016/J.FOODCHEM.2013.11.092
  35. 10.1016/J.FOODCHEM.2014.10.145
  36. 10.1016/J.FOODCHEM.2015.03.005
  37. 10.1016/J.FOODRES.2020.109416
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  39. 10.1016/J.PHYTOCHEM.2009.06.013
  40. 10.1016/J.TALANTA.2012.06.052

Showing 40 of 130. 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.