Structure Database (LMSD)

Common Name
ziganein-1-methyl ether
Systematic Name
5-Hydroxy-1-methoxy-3-methylanthracene-9,10-dione
Synonyms
LM ID
LMPK13040031
Status
Active
Exact Mass
Calculate m/z
268.07356
Formula
C16H12O4
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

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

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

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
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
6th May 2021