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COCONUT Compound

CADALENE

CNP0274448.0 · C15H18 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameCADALENE
IUPAC Name4-isopropyl-1,6-dimethyl-naphthalene
COCONUT IDCNP0274448.0
CAS483-78-3
InChIKeyVMOJIHDTVZTGDO-UHFFFAOYSA-N
InChIInChI=1S/C15H18/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-10H,1-4H3
SMILESCC1=CC=C2C(C)=CC=C(C(C)C)C2=C1

Properties

Molecular FormulaC15H18
Molecular Weight198.31
Exact Mass198.14085
Log P (ALogP)4.58
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.63
NP-likeness0.06

Classification

NP PathwayTerpenoids
NP SuperclassSesquiterpenoids
NP ClassCadinane 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
Cinnamomum verum as “Cinnamomum zeylanicum” in COCONUT

References (54)

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Showing 40 of 54. 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.