Structure Database (LMSD)

H
Common Name
Zingiberene
Systematic Name
Synonyms
LM ID
LMPR0103060002
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)
KKOXKGNSUHTUBV-LSDHHAIUSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-10,14-15H,5,7,11H2,1-4H3/t14-,15+/m0/s1
SMILES (Click to copy)
[C@@]1([H])(C=CC(C)=CC1)[C@@H](C)CC/C=C(\C)/C

References

Other Databases

Wikipedia
Zingiberene
KEGG ID
C09750
CHEBI ID
10115
PubChem CID
92776

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 1
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 247.78
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.89
Molar Refractivity 68.83

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Created at
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Updated at
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