LIPID MAPS

Structure Database (LMSD)

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Common Name

Unguinol

Systematic Name

Synonyms

LM ID

LMPK13080017

Formula

C₁₉H₁₈O₅

Exact Mass

Calculate m/z

326.115425

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

ZPPIKBUIYSSQEH-WEVVVXLNSA-N

InChi (Click to copy)

InChI=1S/C19H18O5/c1-5-9(2)13-8-14(21)11(4)17-18(13)23-15-7-12(20)6-10(3)16(15)19(22)24-17/h5-8,20-21H,1-4H3/b9-5+

SMILES (Click to copy)

C1(C)=CC(O)=CC2OC3=C(/C(/C)=C/C)C=C(O)C(C)=C3OC(=O)C1=2

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus unguis (#40381)

Eurotiomycetes (#147545)

A new depsidone from Aspergillus unguis,
Phytochemistry, 1972

DOI: 10.1016/S0031-9422(00)90183-3

Other Databases

PubChem CID

14131420

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 3

Aromatic Rings 2

Rotatable Bonds 1

Van der Waals Molecular Volume 301.21

Topological Polar Surface Area 80.13

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 5

logP 4.46

Molar Refractivity 90.05

Admin

Created at

5th Feb 2022

Updated at