Structure Database (LMSD)

OH HO O OH OH O
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

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aromatic polyketides [PK13]
Anthracenes and phenanthrenes [PK1304]

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

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

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
6th May 2021