Structure Database (LMSD)

Common Name
Cuparene
Systematic Name
Synonyms
LM ID
LMPR0103140001
Status
Active
Exact Mass
Calculate m/z
202.17215
Formula
C15H22
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Cuparane sesquiterpenoids [PR010314]

String Representations

InChiKey (Click to copy)
SLKPBCXNFNIJSV-HNNXBMFYSA-N
InChi (Click to copy)
InChI=1S/C15H22/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(15,2)3/h6-9H,5,10-11H2,1-4H3/t15-/m0/s1
SMILES (Click to copy)
C1=C(C)C=CC([C@]2(C)CCCC2(C)C)=C1

References

Other Databases

CHEBI ID
167407
PubChem CID
86895

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 2
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 224.52
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.46
Molar Refractivity 66.16

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Updated at
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