Structure Database (LMSD)
Common Name
ziganein-1-methyl ether
Systematic Name
5-Hydroxy-1-methoxy-3-methylanthracene-9,10-dione
Synonyms
3D model of ziganein-1-methyl ether
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
Nat Prod Res, 2014
Pubmed ID:
25022791
Other Databases
PubChem CID
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