Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR02010043
Common Name 
Systematic Name3-Hexaprenyl-4,5-dihydroxybenzoic acid
Synonyms-
Exact Mass
562.4022 (neutral)    Calculate m/z:
FormulaC37H54O4
CategoryPrenol Lipids [PR]
Main ClassQuinones and hydroquinones [PR02]
Sub ClassUbiquinones [PR0201]
PubChem CID5280760
HMDB IDHMDB0001063
InChIKeyVEPICJBQCOUQPI-IRVXXIIISA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)
21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26
,38-39H,8-12,14,16,18,20,22,24H2,1-7H3,(H,40,41)/b28-15+,29-17+,30-19+,31-21+,32
-23+
SMILESOC(=O)C1C=C(C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/C)\C)\C)\C)\C)\C)\C)C
(O)=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms41Rings1Aromatic Rings1Rotatable Bonds18
 van der Waals
Molecular Volume
634.16Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP10.94Molar
Refractivity
174.82