|
Menu

COCONUT Compound

1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, (S-(E,Z,E,E))-

CNP0287055.7 · C20H32 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name1,3,6,10-Cyclotetradecatetraene, 3,7,11-trimethyl-14-(1-methylethyl)-, (S-(E,Z,E,E))-
IUPAC Name(1~{E},3~{Z},6~{E},10~{Z},14~{S})-14-isopropyl-3,7,11-trimethyl-cyclotetradeca-1,3,6,10-tetraene
COCONUT IDCNP0287055.7
CAS1898-13-1
InChIKeyDMHADBQKVWXPPM-PDDCSNRZSA-N
InChIInChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11-/t20-/m0/s1
SMILESCC1=C/C/C=C(\C)CC/C=C(/C)CC[C@@H](C(C)C)\C=C\1

Properties

Molecular FormulaC20H32
Molecular Weight272.48
Exact Mass272.25040
Log P (ALogP)6.62
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations1
QED Drug-likeness0.47
NP-likeness2.77

Classification

NP PathwayTerpenoids
NP SuperclassDiterpenoids
NP ClassCembrane diterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassDiterpenoids

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum” in COCONUT

References (3)

  1. 10.1002/JPS.3030401108
  2. 10.1246/NIKKASHI1921.56.9_1118
  3. 10.1271/BBB1961.44.467

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.