LIPID MAPS

Structure Database (LMSD)

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Common Name

2'-eicosa-5Z,8Z,11Z,14Z,17Z-pentaenoylphloroglucinol

Systematic Name

1-(2,4,6-Trihydroxyphenyl)-5Z,8Z,11Z,14Z,17Z-eicosapenten-1-one

Synonyms

LM ID

LMPK13070050

Formula

C₂₆H₃₄O₄

Exact Mass

Calculate m/z

410.24571

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

JGENOJYUFVSJRO-JLNKQSITSA-N

InChi (Click to copy)

InChI=1S/C26H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(28)26-24(29)20-22(27)21-25(26)30/h3-4,6-7,9-10,12-13,15-16,20-21,27,29-30H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-

SMILES (Click to copy)

C(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)C1=C(O)C=C(O)C=C1O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Zonaria tournefortii (#531995)

Phaeophyceae (#2870)

A novel acylphloroglucinol from the brown alga Zonaria tournefortii,
Phytochemistry, 1982

DOI: 10.1016/0031-9422(82)83178-6

Other Databases

PubChem CID

13989918

Calculated Physicochemical Properties

Heavy Atoms 30

Rings 1

Aromatic Rings 1

Rotatable Bonds 14

Van der Waals Molecular Volume 446.50

Topological Polar Surface Area 77.76

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 4

logP 6.91

Molar Refractivity 124.08

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Created at

14th Sep 2021

Updated at