Structure Database (LMSD)

Common Name
Carviolin
Systematic Name
1,3-dihydroxy-6-(hydroxymethyl)-8-methoxy-9,10-anthracenedione
Synonyms
LM ID
LMPK13040020
Status
Active
Exact Mass
Calculate m/z
300.06339
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)
XNMZBRJAWRIJII-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O6/c1-22-12-3-7(6-17)2-9-14(12)16(21)13-10(15(9)20)4-8(18)5-11(13)19/h2-5,17-19H,6H2,1H3
SMILES (Click to copy)
C12C(OC)=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

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 258.10
Topological Polar Surface Area 104.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 1.37
Molar Refractivity 75.55

Admin

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