Penicillide

Base Information

• Chemical Name: Penicillide
• CAS No.: 55303-92-9
• Molecular Formula: C₂₁H₂₄O₆
• Molecular Weight: 372.418
• UNII: 2B37T22RU5
• DSSTox Substance ID: DTXSID90970627
• Nikkaji Number: J3.068.374I
• Wikidata: Q27133889
• Metabolomics Workbench ID: 63883
• ChEMBL ID: CHEMBL325752

Synonyms:3-(1'-hydroxy-3'-methylbutyl)-11-hydroxy-4-methoxy-9-methyl-5H,7H-dibenzo(c,f)(1,5)-dioxocin-5-one;vermixocin A

Chemical Property of Penicillide

Chemical Property:

• Vapor Pressure: 1.53E-15mmHg at 25°C
• Boiling Point: 606.1°C at 760 mmHg
• Flash Point: 214.3°C
• PSA: 110.22000
• Density: 1.242g/cm³
• LogP: 2.12950
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 372.15728848
• Heavy Atom Count: 27
• Complexity: 509

Purity/Quality:

98%Min ^*data from raw suppliers

Penicillide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)C(CC(C)C)O)OC)C(=O)OC2
• Isomeric SMILES: CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)[C@H](CC(C)C)O)OC)C(=O)OC2
• Uses: Penicillide is a potential ACAT, Calpain, and Oxytocin Receptor inhibitor.Also, it is used in preparation of (Methyl)bicyclo[2.2.1]heptanecarboxylate (Methoxy)(oxo)dibenzo[b,g][1,5]dioxocinyl Ester derivatives (Penicillide analogs) and degenerate of their activity as inhibitors of cholesterol ester transfer protein.

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