LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Averythrin

Systematic Name

2-[(E)-hex-1-enyl]-1,3,6,8-tetrahydroxyanthracene-9,10-dione

Synonyms

LM ID

LMPK13040032

Formula

C₂₀H₁₈O₆

Exact Mass

Calculate m/z

354.11034

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Aspergillus sp. (#5065)

Eurotiomycetes (#147545)

The antifungal metabolites obtained from the rhizospheric Aspergillus sp. YIM PH30001 against pathogenic fungi of Panax notoginseng.,
Nat Prod Res, 2014

Pubmed ID: 25022791

String Representations

InChiKey (Click to copy)

RTXQNGWQTJTHCK-AATRIKPKSA-N

InChi (Click to copy)

InChI=1S/C20H18O6/c1-2-3-4-5-6-11-14(22)9-13-17(19(11)25)20(26)16-12(18(13)24)7-10(21)8-15(16)23/h5-9,21-23,25H,2-4H2,1H3/b6-5+

SMILES (Click to copy)

C12C=C(C(/C=C/CCCC)=C(O)C=1C(=O)C1=C(C=C(O)C=C1O)C2=O)O

Other Databases

PubChem CID

11110998

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 3

Aromatic Rings 2

Rotatable Bonds 4

Van der Waals Molecular Volume 324.66

Topological Polar Surface Area 115.06

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 6

logP 3.49

Molar Refractivity 94.97

Admin

Created at

6th May 2021

Updated at