Structure database (LMSD)

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LM IDLMPR0103110002
Common Name(1E,6E)-γ-humulene
Systematic Name(1E,6E)-1,8,8-trimethyl-5-methylidenecycloundeca-1,6-diene (1E,6E)-humula-1(11)
,4(13),5-triene
Synonyms(1E,6E)-1,8,8-trimethyl-5-methylenecycloundeca-1,6-diene
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Humulane sesquiterpenoids [PR010311]
PubChem CID6365330
KEGG IDC16829
CHEBI ID49292
InChIKeyFNXUOGPQAOCFKU-PVYBRLDNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h7,10,12H,2,5-6,8-9,11H2,1,3-4H3/b12-10+,13-7+
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SMILES
C1C(C)(C)CCCC(C)=CCCC(=C)C=1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
247.78Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP5.04Molar
Refractivity
68.90