Structure Database (LMSD)

Common Name
Curcumenone
Systematic Name
Synonyms
LM ID
LMPR0103400001
Status
Active
Exact Mass
Calculate m/z
234.16198
Formula
C15H22O2
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]
Carabrane sesquiterpenoids [PR010340]

String Representations

InChiKey (Click to copy)
HUZJLWLCLJEXEL-JHIQODARSA-N
InChi (Click to copy)
InChI=1S/C15H22O2/c1-9(2)11-7-13-12(6-5-10(3)16)15(13,4)8-14(11)17/h12-13H,5-8H2,1-4H3/t12-,13?,15+/m1/s1
SMILES (Click to copy)
C1C2[C@](C)([C@@H]2CCC(=O)C)CC(=O)/C/1=C(\C)/C

References

Other Databases

PubChem CID
42608155

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 2
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 253.00
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 3.31
Molar Refractivity 67.62

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Updated at
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