LIPID MAPS

Structure Database (LMSD)

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Common Name

ziganein-1-methyl ether

Systematic Name

5-Hydroxy-1-methoxy-3-methylanthracene-9,10-dione

Synonyms

LM ID

LMPK13040031

Formula

C₁₆H₁₂O₄

Exact Mass

Calculate m/z

268.07356

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

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)

PAKHOCRENVPSME-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C16H12O4/c1-8-6-10-14(12(7-8)20-2)15(18)9-4-3-5-11(17)13(9)16(10)19/h3-7,17H,1-2H3

SMILES (Click to copy)

C12C(OC)=CC(C)=CC=1C(=O)C1=C(C=CC=C1O)C2=O

Other Databases

PubChem CID

23260675

Calculated Physicochemical Properties

Heavy Atoms 20

Rings 3

Aromatic Rings 2

Rotatable Bonds 1

Van der Waals Molecular Volume 240.52

Topological Polar Surface Area 63.60

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 2.48

Molar Refractivity 72.70

Admin

Created at

6th May 2021

Updated at