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COCONUT Compound

delta-Elemene

CNP0312384.5 · C15H24 · View on COCONUT ↗

2D Structure

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Identifiers

Namedelta-Elemene
IUPAC Name(3~{R},4~{R})-3-isopropenyl-1-isopropyl-4-methyl-4-vinyl-cyclohexene
COCONUT IDCNP0312384.5
CAS11029-06-4
InChIKeyMXDMETWAEGIFOE-CABCVRRESA-N
InChIInChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,10-11,14H,1,4,8-9H2,2-3,5-6H3/t14-,15+/m1/s1
SMILESC=C[C@@]1(C)CCC(C(C)C)=C[C@@H]1C(=C)C

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.75
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.58
NP-likeness2.92

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassElemane sesquiterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassSesquiterpenoids

Reported in GR-MAPs Plants

Matricaria chamomilla as “Chamomilla recutita; Matricaria chamomilla” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia Annua” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Piper auritum as “Piper auritum” in COCONUT
Azadirachta indica as “Azadirachta indica” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (114)

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Showing 40 of 114. 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.