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COCONUT Compound

(-)-alpha-curcumene

CNP0403286.2 · C15H22 · View on COCONUT ↗

2D Structure

Identifiers

Name(-)-alpha-curcumene
IUPAC Name1-[(1~{R})-1,5-dimethylhex-4-enyl]-4-methyl-benzene
COCONUT IDCNP0403286.2
CAS4176-17-4
InChIKeyVMYXUZSZMNBRCN-CQSZACIVSA-N
InChIInChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3/t14-/m1/s1
SMILESCC(C)=CCC[C@@H](C)C1=CC=C(C)C=C1

Properties

Molecular FormulaC15H22
Molecular Weight202.34
Exact Mass202.17215
Log P (ALogP)4.84
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.61
NP-likeness0.87

Classification

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

Reported in GR-MAPs Plants

Acorus calamus as “Acorus calamus” in COCONUT
Rosmarinus officinalis as “Rosmarinus Officinalis” in COCONUT
Cymbopogon martini as “Cymbopogon martinii” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (92)

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Showing 40 of 92. 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.