Structure Database (LMSD)

Common Name
(E)-gamma-bisabolene
Systematic Name
(1E)-bisabola-1(10),4,7(11)-triene (4E)-4-(1,5-dimethylhex-4-en-1-ylidene)-1-methylcyclohexene
Synonyms
LM ID
LMPR0103060005
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Bisabolane sesquiterpenoids [PR010306]

String Representations

InChiKey (Click to copy)
XBGUIVFBMBVUEG-PFONDFGASA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8H,5,7,9-11H2,1-4H3/b15-14-
SMILES (Click to copy)
C1C/C(/CC=C1C)=C(/C)\CC/C=C(/C)\C

References

Other Databases

HMDB ID
HMDB0036154
CHEBI ID
49239
PubChem CID
5352437

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 247.78
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.18
Molar Refractivity 68.97

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Created at
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Updated at
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