Structure Database (LMSD)
Common Name
Chrysophanol
Systematic Name
1,8-dihydroxy-3-methyl-9,10-anthracenedione
Synonyms
- Chrysophanic Acid
- Turkey Rhubarb
3D model of Chrysophanol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Rheum rhabarbarum
(#3621)
Magnoliopsida
(#3398)
The constituents of rhubarb,
J Chem Soc Trans, 1911
J Chem Soc Trans, 1911
DOI:
10.1039/CT9119900946
Talaromyces islandicus
(#28573)
Eurotiomycetes
(#147545)
Studies in the biochemistry of micro-organisms. 81. The colouring matters of Penicillium islandicum Sopp. Part 2. Chrysophanic acid, 4:5-dihydroxy-2-methylanthraquinone.,
Biochem J, 1950
Biochem J, 1950
Pubmed ID:
16748635
String Representations
InChiKey (Click to copy)
LQGUBLBATBMXHT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
SMILES (Click to copy)
C12C=C(C=C(O)C=1C(=O)C1=C(C=CC=C1O)C2=O)C
Other Databases
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
Admin
Created at
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Updated at
13th Mar 2025