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Basic Description
| Synonyms | hypericin | 548-04-9 | Hypericum red | hipericin | hipericina | hypericine | Hyperizin | Cyclosan | Mycoporphyrin | SGX301 | 1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione | Cyclo-Werol | VIMRxyn | Hypericin [USAN] | SGX-301 | Hypericin (SGX301) | 4 |
|---|---|
| Specifications & Purity | Moligand™, 10mM in DMSO |
| Storage Temp | Protected from light,Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Grade | Moligand™ |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Pyrenes
- Subclass Benzopyrenes
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Class
Pyrenes
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Pyrenes |
| Subclass | Benzopyrenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzopyrenes |
| Alternative Parents | Perylenequinones Triphenylenes Chrysenes Phenanthrols Anthracenes Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Benzo-e-pyrene - Benzo-a-pyrene - Perylenequinone - Triphenylene - Chrysene - Phenanthrol - Phenanthrene - Anthracene - 1-naphthol - 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - 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 benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. |
| External Descriptors | Not available |
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Names and Identifiers
| IUPAC Name | 9,11,13,16,18,20-hexahydroxy-5,24-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(26),2,4(25),5,8,10,12,14(28),15(27),16,18,20,23-tridecaene-7,22-dione |
|---|---|
| INCHI | InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3 |
| InChIKey | YDOIFHVUBCIUHF-UHFFFAOYSA-N |
| Smiles | CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O |
| Isomeric SMILES | CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O |
| WGK Germany | 3 |
| Alternate CAS | 1372719-41-9,548-04-9 |
| NSC Number | 407313 |
| MeSH Entry Terms | 1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro(1,10,9,8-opqra)perylene-7,14-dione;hipericin;hypericin;hypericum red;mono-(123I)iodohypericin;SGX-301;SGX301 |
| Molecular Weight | 504.44 |
| Beilstein | 1917913 |
| Reaxy-Rn | 35831525 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35831525&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | Light sensitive. |
|---|---|
| Molecular Weight | 504.400 g/mol |
| XLogP3 | 5.700 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 0 |
| Exact Mass | 504.085 Da |
| Monoisotopic Mass | 504.085 Da |
| Topological Polar Surface Area | 156.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 1090.000 |
| 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 |
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