Structure Database (LMSD)

Common Name
Zizaene
Systematic Name
(+)-6(13)-Zizene
Synonyms
  • Tricyclovetivene
LM ID
LMPR0103700003
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Zizaane and prezizaane sesquiterpenoids [PR010370]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Chrysopogon zizanioides (#167337)
Magnoliopsida (#3398)
Sesquiterpenoids of vetiver oil—I: The structures of zizanoic acid and related constituents,
Tetrahedron, 1973

String Representations

InChiKey (Click to copy)
VBZRHXLPRWBPEH-RZLPUIOOSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12?,13+,15-/m0/s1
SMILES (Click to copy)
[C@]123CC[C@H](C(C)(C)C(=C)[C@@]1([H])CC[C@@H]2C)C3

Other Databases

PubChem CID
42608185

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 228.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.42
Molar Refractivity 64.58

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Created at
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Updated at
15th May 2025