Structure Database (LMSD)

Systematic Name
2-hexaprenyl-6-methoxyphenol
Synonyms
LM ID
LMPR02010042
Formula
C37H56O2
Exact Mass
Calculate m/z
532.42803
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Quinones and hydroquinones [PR02]
Ubiquinones [PR0201]

String Representations

InChiKey (Click to copy)
WVPRAWNIVDFQBO-DUBIXASGSA-N
InChi (Click to copy)
InChI=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+
SMILES (Click to copy)
COC1C(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

Other Databases

KEGG ID
C05802
HMDB ID
HMDB0006817
CHEBI ID
1109
PubChem CID
5280825

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 1
Aromatic Rings 1
Rotatable Bonds 18
Van der Waals Molecular Volume 619.22
Topological Polar Surface Area 29.46
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 11.54
Molar Refractivity 172.75

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Updated at
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