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COCONUT Compound

Sylvestrene

CNP0173733.2 · C10H16 · View on COCONUT ↗

This compound is also curated in GR-MAPs, with spectra, bioactivity and 3D structure: view GR-MAPs record MOL45

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameSylvestrene
IUPAC Name(5~{R})-5-isopropenyl-1-methyl-cyclohexene
COCONUT IDCNP0173733.2
CAS1461-27-4
InChIKeyJWQKMEKSFPNAIB-SNVBAGLBSA-N
InChIInChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3/t10-/m1/s1
SMILESC=C(C)[C@@H]1CCC=C(C)C1

Properties

Molecular FormulaC10H16
Molecular Weight136.24
Exact Mass136.12520
Log P (ALogP)3.31
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.49
NP-likeness2.35

Classification

NP PathwayTerpenoids
NP SuperclassMonoterpenoids
NP ClassMonocyclic monoterpenoids
Chemical SuperclassLipids and lipid-like molecules
Chemical ClassPrenol lipids
Chemical SubclassMonoterpenoids

Reported in GR-MAPs Plants

Daucus carota as “Daucus carota” in COCONUT

References (6)

  1. 10.1002/(SICI)1099-1573(1998)12:1+<S117::AID-PTR269>3.0.CO;2-2
  2. 10.1002/CBDV.200900091
  3. 10.1248/BPB.23.359
  4. 10.1515/ZNC-2004-5-615
  5. 10.1515/znc-2004-5-615
  6. 10.3109/13880209109082877

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.