Structure Database (LMSD)

Common Name
omega-Hydroxyemodin
Systematic Name
1,3,8-trihydroxy-6-(hydroxymethyl)-9,10-anthracenedione
Synonyms
  • Citreorosein
LM ID
LMPK13040023
Status
Active
Exact Mass
Calculate m/z
286.04774
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
YQHZABGPIPECSQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-5-6-1-8-12(10(18)2-6)15(21)13-9(14(8)20)3-7(17)4-11(13)19/h1-4,16-19H,5H2
SMILES (Click to copy)
C12C(O)=CC(CO)=CC=1C(=O)C1=C(C(O)=CC(O)=C1)C2=O

References

Reference
Six immunosuppressive features from an ascomycete, Zopfiella longicaudata, found in a screening study monitored by immunomodulatory activity.
Chem Pharm Bull (Tokyo), 2004
DOI: 10.1248/cpb.52.1005
PMID: 15305003

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Triangularia longicaudata (#2587414)
Sordariomycetes (#147550)
Six immunosuppressive features from an ascomycete, Zopfiella longicaudata, found in a screening study monitored by immunomodulatory activity.,
Chem Pharm Bull (Tokyo), 2004
Pubmed ID: 15305003

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 240.80
Topological Polar Surface Area 115.06
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 1.07
Molar Refractivity 70.67

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Created at
19th Apr 2021
Updated at
19th Apr 2021