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8-Methyl Chrysophanol

CAT: 0804-HY-N7618Size: 1 EachDry Ice: NoHazardous: No
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Description
8-Methyl Chrysophanol is an anthraquinone isolated from the bark of Senna macranth[1].
CAS Number
3300-25-2
Product Name Alternative
Chrysophanol 8-methyl ether
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/8-methyl-chrysophanol.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=C(C=CC=C2OC)C(C3=CC(C)=CC(O)=C13)=O
Molecular Formula
C16H12O4
Molecular Weight
268.26
References & Citations
[1]Alexsandro Branco, et al. Anthraquinones from the bark of Senna macranthera. An Acad Bras Cienc. 2011 Dec;83 (4) :1159-64.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

1-Hydroxy-8-methoxy-3-methylanthracene-9,10-dione

1-Hydroxy-8-methoxy-3-methylanthracene-9,10-dione has been reported in Senna obtusifolia, Senna didymobotrya, and other organisms with data available.

CAS Number3300-25-2
PubChem CID11300144
IUPAC Name1-hydroxy-8-methoxy-3-methylanthracene-9,10-dione
Molecular FormulaC16H12O4
Molecular Weight268.26
XLogP3.4
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity419
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC
InChI
InChI=1S/C16H12O4/c1-8-6-10-13(11(17)7-8)16(19)14-9(15(10)18)4-3-5-12(14)20-2/h3-7,17H,1-2H3
InChIKey
HOGWLZYYLVDAOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Hydroxy-8-methoxy-3-methylanthracene-9,10-dione
CAS: 3300-25-2
CID: 11300144
Formula: C16H12O4
MW: 268.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight268.26
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass268.07355886
Monoisotopic Mass268.07355886
Topological Polar Surface Area63.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity419
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