Structure Database (LMSD)

O O
Common Name
Curmadione
Systematic Name
Synonyms
LM ID
LMPR0103390001
Formula
C15H22O2
Exact Mass
Calculate m/z
234.16198
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]
Xanthane sesquiterpenoids [PR010339]

String Representations

InChiKey (Click to copy)
JXBMAOPQNNTXPM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H22O2/c1-5-13(16)9-12-6-7-14(10(2)3)15(17)8-11(12)4/h6,11H,5,7-9H2,1-4H3
SMILES (Click to copy)
C1(CC(=O)CC)C(C)CC(=O)/C(=C(\C)/C)/CC=1

References

Other Databases

CHEBI ID
185030
PubChem CID
42608153

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 1
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 262.72
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.62
Molar Refractivity 69.78

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Created at
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Updated at
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