Structure Database (LMSD)

Common Name
Chamazulene
Systematic Name
Synonyms
LM ID
LMPR0103410002
Formula
C14H16
Exact Mass
Calculate m/z
184.1252
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Matricaria chamomilla (#98504)
Magnoliopsida (#3398)
Chamazulene: an antioxidant-type inhibitor of leukotriene B4 formation.,
Planta Med, 1994
Pubmed ID: 7997466

String Representations

InChiKey (Click to copy)
GXGJIOMUZAGVEH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3
SMILES (Click to copy)
C12=C(C)C=CC1=C(C)C=CC(CC)=C2

Other Databases

Wikipedia
Chamazulene
KEGG ID
C09633
HMDB ID
HMDB0036470
CHEBI ID
3573
PubChem CID
10719
Cayman ID
36072

Calculated Physicochemical Properties

Heavy Atoms 14
Rings 2
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 191.04
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.02
Molar Refractivity 62.80

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Updated at
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