Structure Database (LMSD)

O O
Common Name
Dihydromenaquinone-8
Systematic Name
2-methyl-3-((2E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,10,14,18,22,26,30-heptaenyl)naphthalene-1,4-dione
Synonyms
  • MK-8(H2)
LM ID
LMPR02010039
Formula
C51H74O2
Exact Mass
Calculate m/z
718.56888
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
ROENOAFLUDRPDJ-PPGBVOQZSA-N
InChi (Click to copy)
InChI=1S/C51H74O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24,26,28,30,34-36,44H,13-19,21,23,25,27,29,31-33,37H2,1-10H3/b39-22+,40-24+,41-26+,42-28+,43-30+,45-36+
SMILES (Click to copy)
C1(C/C=C(\C)/CCCC(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)C(=O)C2=C(C=CC=C2)C(=O)C=1C

References

Other Databases

CHEBI ID
166696
PubChem CID
6442197

Calculated Physicochemical Properties

Heavy Atoms 53
Rings 2
Aromatic Rings 1
Rotatable Bonds 24
Van der Waals Molecular Volume 838.50
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 15.90
Molar Refractivity 232.81

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Created at
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Updated at
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