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COCONUT Compound

LONGIFOLENE

CNP0253868.4 · C15H24 · View on COCONUT ↗

2D Structure

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Identifiers

NameLONGIFOLENE
IUPAC Name(1~{R},2~{R},7~{S},9~{S})-3,3,7-trimethyl-8-methylene-tricyclo[5.4.0.0^{2,9}]undecane
COCONUT IDCNP0253868.4
CAS475-20-7
InChIKeyPDSNLYSELAIEBU-RGCMKSIDSA-N
InChIInChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1
SMILESC=C1[C@H]2CC[C@@H]3[C@@H]2C(C)(C)CCC[C@]13C

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-likeness3.05

Classification

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

Reported in GR-MAPs Plants

Centella asiatica as “Centella asiatica” in COCONUT
Acorus calamus as “Acorus calamus” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Crocus sativus as “Crocus sativus” in COCONUT

References (2)

  1. 10.1016/j.bse.2007.05.009
  2. 10.1076/PHBI.35.1.66.13267

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.