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AURANTIO-OBTUSIN

CAS No.:
67979-25-3
Catalog Number:
AG00FBG0
Molecular Formula:
C17H14O7
Molecular Weight:
330.2889
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Product Description
Catalog Number:
AG00FBG0
Chemical Name:
AURANTIO-OBTUSIN
CAS Number:
67979-25-3
Molecular Formula:
C17H14O7
Molecular Weight:
330.2889
MDL Number:
MFCD13194886
IUPAC Name:
1,3,7-trihydroxy-2,8-dimethoxy-6-methylanthracene-9,10-dione
InChI:
InChI=1S/C17H14O7/c1-6-4-7-11(17(24-3)12(6)19)14(21)10-8(13(7)20)5-9(18)16(23-2)15(10)22/h4-5,18-19,22H,1-3H3
InChI Key:
RNXZPKOEJUFJON-UHFFFAOYSA-N
SMILES:
COc1c2c(cc(c1O)C)C(=O)c1c(C2=O)c(O)c(c(c1)O)OC
Properties
Complexity:
521  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.074g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
330.292g/mol
Monoisotopic Mass:
330.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
From the Cover: Identification of Natural Products as Inhibitors of Human Organic Anion Transporters (OAT1 and OAT3) and Their Protective Effect on Mercury-Induced Toxicity. Toxicological sciences : an official journal of the Society of Toxicology 20180201
Simultaneous determination of eight anthraquinones in Semen Cassiae by HPLC-DAD. Phytochemical analysis : PCA 20120101
[Determination of aurantio-obtusin and chrysophanol in cassiae semen by HPLC]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20100801
Correlation between reduction potentials and inhibitions of Epstein-Barr virus activation by anthraquinone derivatives. Bioorganic & medicinal chemistry letters 20080715
Effect of butanol fraction from Cassia tora L. seeds on glycemic control and insulin secretion in diabetic rats. Nutrition research and practice 20080101
Anthraquinones from the seeds of Cassia tora with inhibitory activity on protein glycation and aldose reductase. Biological & pharmaceutical bulletin 20071101
Changes in aurantio-obtusin and glucoaurantio-obtusin content in Cassiae Semen via treatment with a crude enzyme extract from Aspergillus usamii. Journal of microbiology and biotechnology 20071101
Estrogenic and anti-estrogenic activities of Cassia tora phenolic constituents. Chemical & pharmaceutical bulletin 20071001
Properties