Structure Database (LMSD)

Common Name
(-)-Thujopsene
Systematic Name
Synonyms
LM ID
LMPR0103860001
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Thujopsane sesquiterpenoids [PR010386]

String Representations

InChiKey (Click to copy)
WXQGPFZDVCRBME-QEJZJMRPSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1
SMILES (Click to copy)
C1C[C@@]2(C)CC=C(C)[C@@H]3C[C@]23C(C)(C)C1

Other Databases

KEGG ID
C09740
CHEBI ID
9578
PubChem CID
442402
Cayman ID
35270

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 228.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.56
Molar Refractivity 64.65

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Updated at
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