Structure database (LMSD)

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LM IDLMPR0103690006
Common Namecedr-8-ene
Systematic Namecedr-8-ene
Synonyms(-)-α-cedrene;(1S,2R,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undec-8-
ene;[3R-(3α,3aβ,7β,8aα)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-
methanoazulene; α-cedrene
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Cedrane and isocedrane sesquiterpenoids [PR010369]
PubChem CID6431015
KEGG IDC09630
HMDB IDHMDB0059695
CHEBI ID10216
CAYMAN ID23180
InChIKeyIRAQOCYXUMOFCW-OSFYFWSMSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
[C@H]1(C)[C@@]23[C@]([H])(C(C)(C)[C@@H](C2)C(C)=CC3)CC1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings3Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
228.34Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP4.42Molar
Refractivity
64.58