Structure Database (LMSD)

Common Name
alpha-Cubebene
Systematic Name
Synonyms
LM ID
LMPR0103440001
Formula
C15H24
Exact Mass
Calculate m/z
204.1878
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Cubebane and ivaxillarane sesquiterpenoids [PR010344]

String Representations

InChiKey (Click to copy)
XUEHVOLRMXNRKQ-PFNKYVCDSA-N
InChi (Click to copy)
InChI=1S/C15H24/c1-9(2)12-6-5-11(4)15-8-7-10(3)13(15)14(12)15/h7,9,11-14H,5-6,8H2,1-4H3/t11-,12+,13-,14-,15?/m1/s1
SMILES (Click to copy)
[C@]12([H])C3(CC=C([C@@]31[H])C)[C@H](C)CC[C@H]2C(C)C

Other Databases

PubChem CID
42608159

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 3
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 228.34
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 4.27
Molar Refractivity 64.51

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Created at
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Updated at
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