CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 218.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
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COMPUTED DESCRIPTORS
Molecular Weight | 537.4 g/mol |
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XLogP3 | 3 |
Hydrogen Bond Donor Count | 8 |
Hydrogen Bond Acceptor Count | 12 |
Rotatable Bond Count | 6 |
Exact Mass | 537.09072504 g/mol |
Monoisotopic Mass | 537.09072504 g/mol |
Topological Polar Surface Area | 239 Ų |
Heavy Atom Count | 39 |
Formal Charge | 0 |
Complexity | 1020 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Laccaic acid A is a tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-acetamidoethyl)-2-hydroxyphenyl group at position 7. The major component of LAC dye together with laccaic acids B, C and D It has a role as a dye, an animal metabolite and an EC 2.1.1.37 [DNA (cytosine-5-)-methyltransferase] inhibitor. It is a tetrahydroxyanthraquinone, an acetamide, a polyphenol and an oxo dicarboxylic acid.