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COCONUT Compound

-Duprezizaenene

CNP0238047.2 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name-Duprezizaenene
IUPAC Name(1~{S},2~{S},5~{S},8~{R})-2,6,6-trimethyl-7-methylene-tricyclo[6.2.1.0^{1,5}]undecane
COCONUT IDCNP0238047.2
InChIKeyRFSYBMDOYOBTCL-ZGFBFQLVSA-N
InChIInChI=1S/C15H24/c1-10-5-6-13-14(3,4)11(2)12-7-8-15(10,13)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12+,13+,15-/m0/s1
SMILESC=C1[C@@H]2CC[C@@]3(C2)[C@H](CC[C@@H]3C)C1(C)C

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.42
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.51
NP-likeness3.25

Classification

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

Reported in GR-MAPs Plants

Chrysopogon zizanioides as “Chrysopogon zizanioides; Vetiveria Zizanioides” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT

References (4)

  1. 10.1016/0031-9422(81)80025-8
  2. 10.1080/10412905.2003.9698598
  3. 10.1515/ZNB-1992-0324
  4. 10.3390/ph4121535

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.