Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR02010042
Common Name-
Systematic Name2-hexaprenyl-6-methoxyphenol
Synonyms-
Exact Mass
532.4280 (neutral)    Calculate m/z:
FormulaC37H56O2
CategoryPrenol Lipids [PR]
Main ClassQuinones and hydroquinones [PR02]
Sub ClassUbiquinones [PR0201]
PubChem CID5280825
HMDB IDHMDB0006817
InChIKeyWVPRAWNIVDFQBO-DUBIXASGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C37H56O2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6
)23-13-24-34(7)27-28-35-25-14-26-36(39-8)37(35)38/h14-15,17,19,21,23,25-27,38H,9
-13,16,18,20,22,24,28H2,1-8H3/b30-17+,31-19+,32-21+,33-23+,34-27+
SMILESCOC1C(O)=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=
CC=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms39Rings1Aromatic Rings1Rotatable Bonds18
 van der Waals
Molecular Volume
619.22Topological Polar
Surface Area
29.46Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP11.54Molar
Refractivity
172.75