LIPID MAPS

Structure Database (LMSD)

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Common Name

Rapanone

Systematic Name

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

Synonyms

LM ID

LMPK15050009

Formula

C₁₉H₃₀O₄

Exact Mass

Calculate m/z

322.21441

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

AMKNOBHCKRZHIO-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C19H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18(22)16(20)14-17(21)19(15)23/h14,20,23H,2-13H2,1H3

SMILES (Click to copy)

C1(O)C(=O)C(CCCCCCCCCCCCC)=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

KEGG ID

C10399

CHEBI ID

8779

PubChem CID

100659

Calculated Physicochemical Properties

Heavy Atoms 23

Rings 1

Aromatic Rings 0

Rotatable Bonds 12

Van der Waals Molecular Volume 349.50

Topological Polar Surface Area 74.60

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 5.09

Molar Refractivity 91.46

Admin

Created at

6th Jan 2021

Updated at