Structure Database (LMSD)

Common Name
Averantin
Systematic Name
1,3,6,8-tetrahydroxy-2-[(1S)-1-hydroxyhexyl]-9,10-anthracenedione
Synonyms
LM ID
LMPK13040029
Status
Active
Exact Mass
Calculate m/z
372.120905
Formula


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WGPOPPKSQRZUTP-LBPRGKRZSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,12,21-24,27H,2-5H2,1H3/t12-/m0/s1
SMILES (Click to copy)
C12C=C(C([C@@H](O)CCCCC)=C(O)C=1C(=O)C1=C(C=C(O)C=C1O)C2=O)O

References

Reference
The antifungal metabolites obtained from the rhizospheric Aspergillus sp. YIM PH30001 against pathogenic fungi of Panax notoginseng.
Nat Prod Res, 2014
DOI: 10.1080/14786419.2014.935941
PMID: 25022791

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

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 336.09
Topological Polar Surface Area 135.29
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 2.90
Molar Refractivity 95.51

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Created at
5th May 2021
Updated at
5th May 2021