ChemicalBook--->CAS DataBase List--->55954-61-5

55954-61-5

55954-61-5 Structure

55954-61-5 Structure
IdentificationMore
[Name]

Pseudohypericin
[CAS]

55954-61-5
[Synonyms]

PSEUDOHYPERICIN
Phenanthro[1,10,9,8-opqra]perylene-7,14-dione,1,3,4,6,8,13-hexahydroxy-10-(hydroxymethyl)-11-methyl-
1,3,4,6,8,13-Hexahydroxy-10-(hydroxymethyl)-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione
1,3,4,6,8,13-Hexahydroxy-10-hydroxymethyl-11-methylphenanthro[1,10,9,8-opqra]perylene-7,14-dione
[Molecular Formula]

C30H16O9
[MDL Number]

MFCD00133794
[Molecular Weight]

520.44
[MOL File]

55954-61-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

1089.1±65.0 °C(Predicted)
[density ]

1.994±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

powder
[pka]

7.16±0.20(Predicted)
[color ]

brown
[InChIKey]

YXBUQQDFTYOHQI-UHFFFAOYSA-N
[SMILES]

Cc1cc(O)c2C(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6C(=O)c7c(O)cc(CO)c8c1c2c(c34)c(c56)c78
[CAS DataBase Reference]

55954-61-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[Safety Statements ]

22-36
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
[Hazardous Substances Data]

55954-61-5(Hazardous Substances Data)
Hazard InformationBack Directory
[Uses]

Pseudohypericin is a specific inhibitor of protein kinase C and D-β-Hydroxylase. Also, it is used in determination of potential drug candidate molecules of Hypericum perforatum for COVID-19 treatment.
[Definition]

ChEBI: Pseudohypericin is an ortho- and peri-fused polycyclic arene.
[Biological Activity]

One of the major bioactive constituents of St. Johnμs wort (Hypericum perforatum). Implicated in the antidepressant efficacy of St. Johnμs wort.
[Synthesis]

Pseudohypericin will be extracted by the means of water immersion means pre-treatment of Hypericum perforatum raw materials, by alcohol extraction to extract solvent containing hypericin and pseudohypericin and other active ingredients, through the heatin
[Enzyme inhibitor]

This anti-retroviral agent (FW = 520.45 g/mol) inhibits protein kinase C with an IC50 value of 28.7 μM and dopamine b-hydroxylase with IC50 = 3 μM. Pseudohypericin is a component of St. John’s Wort (Hypericum perforatum). Target(s): dopamine b-hydroxylase; inositoltrisphosphate 3-kinase; and protein kinase C.
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