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COCONUT Compound

(-)-Epicedrol

CNP0287427.2 · C15H26O · View on COCONUT ↗

This compound is also curated in GR-MAPs, with spectra, bioactivity and 3D structure: view GR-MAPs record MOL29

2D Structure

Identifiers

Name(-)-Epicedrol
IUPAC Name(1~{S},2~{R},5~{S},7~{R},8~{S})-2,6,6,8-tetramethyltricyclo[5.3.1.0^{1,5}]undecan-8-ol
COCONUT IDCNP0287427.2
CAS19903-73-2
InChIKeySVURIXNDRWRAFU-MIBAYGRRSA-N
InChIInChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14+,15+/m1/s1
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@]3(C)O

Properties

Molecular FormulaC15H26O
Molecular Weight222.37
Exact Mass222.19837
Log P (ALogP)3.61
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.66
NP-likeness2.98

Classification

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

Reported in GR-MAPs Plants

Centella asiatica as “Centella asiatica” in COCONUT
Artemisia annua as “Artemisia annua” in COCONUT

References (5)

  1. 10.1016/J.JEP.2012.11.045
  2. 10.1016/S0031-9422(03)00294-2
  3. 10.1080/0972060X.2013.813219
  4. 10.1080/10412905.2003.9698597
  5. 10.1177/1934578X0800301225

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.