LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Averantin

Systematic Name

1,3,6,8-tetrahydroxy-2-[(1S)-1-hydroxyhexyl]-9,10-anthracenedione

Synonyms

LM ID

LMPK13040029

Formula

C₂₀H₂₀O₇

Exact Mass

Calculate m/z

372.120905

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)

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

Other Databases

CHEBI ID

71534

PubChem CID

10044783

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

Admin

Created at

5th May 2021

Updated at