Structure Database (LMSD)

Common Name
cedr-8-ene
Systematic Name
cedr-8-ene
Synonyms
  • (-)-alpha-cedrene
  • (1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undec-8-ene
  • [3R-(3alpha,3abeta,7beta,8aalpha)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
  • alpha-cedrene
LM ID
LMPR0103690006
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
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]
Cedrane and isocedrane sesquiterpenoids [PR010369]

String Representations

InChiKey (Click to copy)
IRAQOCYXUMOFCW-OSFYFWSMSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m1/s1
SMILES (Click to copy)
[C@H]1(C)[C@@]23[C@]([H])(C(C)(C)[C@@H](C2)C(C)=CC3)CC1

Other Databases

KEGG ID
C09630
HMDB ID
HMDB0059695
CHEBI ID
10216
PubChem CID
6431015

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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Updated at
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