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| Synonyms | PURPURIN | 81-54-9 | Verantin | 1,2,4-Trihydroxyanthraquinone | Hydroxylizaric acid | Purpurine | 1,2,4-trihydroxyanthracene-9,10-dione | Smoke Brown G | 1,2,4-Trihydroxy-9,10-anthracenedione | 1,2,4-Trihydroxy-9,10-anthraquinone | 1,2,4-Trihydroxyanthrachinon | C.I. 58205 | Ant |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Purpurin is a xanthine oxidase inhibitor that reduces the formation of azoxymethane-induced aberrant crypt foci in rat colon studies. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Anthracenes |
| Subclass | Anthraquinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxyanthraquinones |
| Alternative Parents | Aryl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Hydroxyanthraquinone - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydroxyanthraquinones. These are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group. |
| External Descriptors | flavanones - Anthraquinone type |
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| IUPAC Name | 1,2,4-trihydroxyanthracene-9,10-dione |
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| INCHI | InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H |
| InChIKey | BBNQQADTFFCFGB-UHFFFAOYSA-N |
| Smiles | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O |
| RTECS | CB8200000 |
| PubChem CID | 6683 |
| Molecular Weight | 256.21 |
| Beilstein | 8509 |
| Reaxy-Rn | 1887127 |
| Melt Point(°C) | 253-256 °C |
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| Molecular Weight | 256.209 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Exact Mass | 256.037 Da |
| Monoisotopic Mass | 256.037 Da |
| Topological Polar Surface Area | 94.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 407.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |