LIPID MAPS

Structure Database (LMSD)

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Common Name

Physcion

Systematic Name

1,8-dihydroxy-3-methoxy-6-methyl-9,10-anthracenedione

Synonyms

Parietin
Rheochrysidin

LM ID

LMPK13040028

Formula

C₁₆H₁₂O₅

Exact Mass

Calculate m/z

284.068475

Status

Active

Show lipids differing only in stereochemistry/bond geometry

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Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Senna tora (#362788)

Magnoliopsida (#3398)

Anthraquinones from the seeds of Cassia tora with inhibitory activity on protein glycation and aldose reductase.,
Biol Pharm Bull, 2007

Pubmed ID: 17978503

String Representations

InChiKey (Click to copy)

FFWOKTFYGVYKIR-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C16H12O5/c1-7-3-9-13(11(17)4-7)16(20)14-10(15(9)19)5-8(21-2)6-12(14)18/h3-6,17-18H,1-2H3

SMILES (Click to copy)

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

Other Databases

KEGG ID

C17045

CHEBI ID

38167

PubChem CID

10639

Calculated Physicochemical Properties

Heavy Atoms 21

Rings 3

Aromatic Rings 2

Rotatable Bonds 1

Van der Waals Molecular Volume 249.31

Topological Polar Surface Area 83.83

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 5

logP 2.19

Molar Refractivity 74.37

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Created at

19th Apr 2021

Updated at