|
Menu

COCONUT Compound

Lindestrene

CNP0149816.2 · C15H18O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameLindestrene
IUPAC Name(4~{a}~{S},8~{a}~{S})-3,8~{a}-dimethyl-5-methylene-4,4~{a},6,9-tetrahydrobenzo[f]benzofuran
COCONUT IDCNP0149816.2
CAS2221-88-7
InChIKeyBZQURGSQMBBPRU-DZGCQCFKSA-N
InChIInChI=1S/C15H18O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h4,6,9,13H,1,5,7-8H2,2-3H3/t13-,15+/m0/s1
SMILESC=C1CC=C[C@]2(C)CC3=C(C[C@@H]12)C(C)=CO3

Properties

Molecular FormulaC15H18O
Molecular Weight214.31
Exact Mass214.13577
Log P (ALogP)3.83
TPSA13.14
H-Bond Donors / Acceptors0 / 1
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.60
NP-likeness3.35

Classification

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

Reported in GR-MAPs Plants

Commiphora wightii as “Commiphora mukul; Commiphora wightii” in COCONUT

References (7)

  1. 10.1016/0168-9452(88)90085-4
  2. 10.1016/J.FITOTE.2003.08.010
  3. 10.1016/J.FITOTE.2003.12.003
  4. 10.1016/S0031-9422(00)80085-0
  5. 10.1016/S0040-4020(01)90844-0
  6. 10.1016/S0367-326X(01)00367-7
  7. 10.1016/S0367-326X(03)00199-0

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.