|
Menu

COCONUT Compound

Cadinol

CNP0262195.8 · C15H26O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameCadinol
IUPAC Name(1~{R},4~{S})-4-isopropyl-1,6-dimethyl-3,4,4~{a},7,8,8~{a}-hexahydro-2~{H}-naphthalen-1-ol
COCONUT IDCNP0262195.8
InChIKeyLHYHMMRYTDARSZ-VXGQWTEUSA-N
InChIInChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13?,14?,15+/m0/s1
SMILESCC1=CC2C(CC1)[C@](C)(O)CC[C@H]2C(C)C

Properties

Molecular FormulaC15H26O
Molecular Weight222.37
Exact Mass222.19837
Log P (ALogP)3.78
TPSA20.23
H-Bond Donors / Acceptors1 / 1
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.67
NP-likeness3.14

Classification

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

Reported in GR-MAPs Plants

Valeriana jatamansi as “Valeriana jatamansi” in COCONUT

References (6)

  1. 10.1016/S0031-9422(96)00559-6
  2. 10.1055/S-2006-960908
  3. 10.1055/S-2006-961490
  4. 10.1080/10412905.1990.9697857
  5. 10.1080/10412905.1991.9697971
  6. 10.2987/5642.1

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.