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
C16H12O6
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)
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

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
10040432

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