LIPID MAPS

Structure Database (LMSD)

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Common Name

Suberonone

Systematic Name

2,5-dihydroxy-3-pentadecyl-1,4-benzoquinone

Synonyms

LM ID

LMPK15050008

Formula

C₂₁H₃₄O₄

Exact Mass

Calculate m/z

350.24571

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

GXDURRGUXLDZKN-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(24)18(22)16-19(23)21(17)25/h16,22,25H,2-15H2,1H3

SMILES (Click to copy)

C1(O)C(=O)C(CCCCCCCCCCCCCCC)=C(O)C(=O)C=1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Connarus (#25894)

Magnoliopsida (#3398)

Inhibitory effects of sudanese medicinal plant extracts on hepatitis C virus (HCV) protease.,
Phytother Res, 2000

Pubmed ID: 11054840

Other Databases

PubChem CID

4187769

Calculated Physicochemical Properties

Heavy Atoms 25

Rings 1

Aromatic Rings 0

Rotatable Bonds 14

Van der Waals Molecular Volume 384.10

Topological Polar Surface Area 74.60

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 5.87

Molar Refractivity 100.69

Admin

Created at

6th Jan 2021

Updated at