Structure Database (LMSD)

Common Name
8-O-methylchrysophanol
Systematic Name
1-Hydroxy-8-methoxy-3-methylanthracene-9,10-dione
Synonyms
LM ID
LMPK13040030
Status
Active
Exact Mass
Calculate m/z
268.07356
Formula
C16H12O4
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
HOGWLZYYLVDAOW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O4/c1-8-6-10-13(11(17)7-8)16(19)14-9(15(10)18)4-3-5-12(14)20-2/h3-7,17H,1-2H3
SMILES (Click to copy)
C12C=C(C=C(O)C=1C(=O)C1=C(C=CC=C1OC)C2=O)C

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
11300144

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