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COCONUT Compound

METHYL PALMITATE

CNP0274232.0 · C17H34O2 · View on COCONUT ↗

2D Structure

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Identifiers

NameMETHYL PALMITATE
IUPAC Namemethyl hexadecanoate
COCONUT IDCNP0274232.0
CAS112-39-0
InChIKeyFLIACVVOZYBSBS-UHFFFAOYSA-N
InChIInChI=1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
SMILESCCCCCCCCCCCCCCCC(=O)OC

Properties

Molecular FormulaC17H34O2
Molecular Weight270.46
Exact Mass270.25588
Log P (ALogP)5.64
TPSA26.30
H-Bond Donors / Acceptors0 / 2
Rotatable Bonds14
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.30
NP-likeness0.25

Classification

NP PathwayFatty acids
NP SuperclassFatty esters
NP ClassWax monoesters
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassFatty Acyls
Chemical SubclassFatty acid esters

Reported in GR-MAPs Plants

Andrographis paniculata as “Andrographis paniculata” in COCONUT
Catharanthus roseus as “Catharanthus roseus” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Artemisia annua as “Artemisia Annua; Artemisia annua L.cultivar Jwarharti” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Azadirachta indica as “Azadirachta indica” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (117)

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Showing 40 of 117. 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.