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COCONUT Compound

(1~{S},9~{S})-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene

CNP0212910.9 · C15H24 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

IUPAC Name(1~{S},9~{S})-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene
COCONUT IDCNP0212910.9
InChIKeyNPNUFJAVOOONJE-KGLIPLIRSA-N
InChIInChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/t13-,14+/m1/s1
SMILESC=C1CCC=C(C)CC[C@H]2[C@@H]1CC2(C)C

Properties

Molecular FormulaC15H24
Molecular Weight204.36
Exact Mass204.18780
Log P (ALogP)4.73
TPSA0.00
H-Bond Donors / Acceptors0 / 0
Rotatable Bonds0
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.50
NP-likeness3.43

Classification

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

Reported in GR-MAPs Plants

Acorus calamus as “Acorus calamus” in COCONUT
Artemisia annua as “Artemisia annua L.” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Mentha Arvensis as “Mentha arvensis” in COCONUT
Vitex negundo as “Vitex negundo” in COCONUT
Valeriana jatamansi as “Valeriana jatamansi” in COCONUT
Cassia angustifolia as “Senna alexandrina” in COCONUT
Emblica officinalis as “Phyllanthus emblica” in COCONUT

References (4)

  1. 10.1016/0031-9422(88)80795-7
  2. 10.1021/JF071938F
  3. 10.1021/jf011456i
  4. 10.1074/jbc.M111.265652

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.