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2-Hydroxymethyl-3-hydroxyanthraquinone

CAT: 0804-HY-N8789Size: 1 EachDry Ice: NoHazardous: No
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Description
2-Hydroxymethyl-3-hydroxyanthraquinone is an antiosteoporotic compound that inhibits osteoclastic tartrate-resistant acid phosphatase (TRAP) activity[1].
CAS Number
68243-30-1
UNSPSC
12352005
Target
Phosphatase
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/2-hydroxymethyl-3-hydroxyanthraquinone.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=C(C=CC=C2)C(C3=CC(CO)=C(O)C=C13)=O
Molecular Formula
C15H10O4
Molecular Weight
254.24
References & Citations
[1]Wu YB, et al. Antiosteoporotic activity of anthraquinones from Morinda officinalis on osteoblasts and osteoclasts. Molecules. 2009 Jan 23;14 (1) :573-83.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

2-Hydroxy-3-(Hydroxymethyl)Anthraquinone

3-hydroxy-2-hydroxymethyl-9,10-anthraquinone is a monohydroxyanthraquinone that is 9,10-anthraquinone substituted by a hydroxy group at position 2 and a hydroxymethyl group at position 3. It has been isolated from the roots of Rubia yunnanensis. It has a role as an antineoplastic agent and a plant metabolite. It is a primary alcohol and a monohydroxyanthraquinone.

CAS Number68243-30-1
PubChem CID44445519
IUPAC Name2-hydroxy-3-(hydroxymethyl)anthracene-9,10-dione
Molecular FormulaC15H10O4
Molecular Weight254.24
XLogP2.2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity392
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C(=C3)CO)O
InChI
InChI=1S/C15H10O4/c16-7-8-5-11-12(6-13(8)17)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,16-17H,7H2
InChIKey
LMXDYBJTJGPZPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy-3-(Hydroxymethyl)Anthraquinone
CAS: 68243-30-1
CID: 44445519
Formula: C15H10O4
MW: 254.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.24
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass254.05790880
Monoisotopic Mass254.05790880
Topological Polar Surface Area74.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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