Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0103400001
Common NameCurcumenone
Systematic Name-
Synonyms-
Exact Mass
234.1620 (neutral)    Calculate m/z:
FormulaC15H22O2
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Carabrane sesquiterpenoids [PR010340]
PubChem CID42608155
InChIKeyHUZJLWLCLJEXEL-JHIQODARSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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
SMILESC1C2[C@](C)([C@@H]2CCC(=O)C)CC(=O)/C/1=C(\C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings2Aromatic Rings0Rotatable Bonds3
 van der Waals
Molecular Volume
253.00Topological Polar
Surface Area
34.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP3.31Molar
Refractivity
67.62