LIPID MAPS

Structure Database (LMSD)

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Common Name

Rubiadin

Systematic Name

1,3-dihydroxy-2-methyl-9,10-anthracenedione

Synonyms

LM ID

LMPK13040018

Formula

C₁₅H₁₀O₄

Exact Mass

Calculate m/z

254.05791

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Main

Classification

String Representations

InChiKey (Click to copy)

IRZTUXPRIUZXMP-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3

SMILES (Click to copy)

C12C(O)=C(C)C(O)=CC=1C(=O)C1=C(C=CC=C1)C2=O

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rubia cordifolia (#339321)

Magnoliopsida (#3398)

Rubiadin, a new antioxidant from Rubia cordifolia.,
Indian J Biochem Biophys, 1997

Pubmed ID: 9425750

Other Databases

KEGG ID

C10402

CHEBI ID

69533

PubChem CID

124062

Calculated Physicochemical Properties

Heavy Atoms 19

Rings 3

Aromatic Rings 2

Rotatable Bonds 0

Van der Waals Molecular Volume 223.22

Topological Polar Surface Area 74.60

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 4

logP 2.18

Molar Refractivity 67.82

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Created at

16th Apr 2021

Updated at