ChemSpider 2D Image | penipanoid B | C16H13N3O2

penipanoid B

  • Molecular FormulaC16H13N3O2
  • Average mass279.293 Da
  • Monoisotopic mass279.100769 Da
  • ChemSpider ID26631131
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,3aR)-3-(4-Hydroxyphenyl)-3a,4-dihydroimidazo[1,5-a]chinazolin-5(3H)-on [German] [ACD/IUPAC Name]
(3S,3aR)-3-(4-Hydroxyphenyl)-3a,4-dihydroimidazo[1,5-a]quinazolin-5(3H)-one [ACD/IUPAC Name]
(3S,3aR)-3-(4-Hydroxyphényl)-3a,4-dihydroimidazo[1,5-a]quinazolin-5(3H)-one [French] [ACD/IUPAC Name]
Imidazo[1,5-a]quinazolin-5(3H)-one, 3a,4-dihydro-3-(4-hydroxyphenyl)-, (3S,3aR)- [ACD/Index Name]
penipanoid B
rel-(3S,3aR)-3-(4-hydroxyphenyl)-3a,4-dihydroimidazo[1,5-a]quinazolin-5(3H)-one
  • Miscellaneous
    • Chemical Class:

      An alkaloid that is 3a,4-dihydroimidazo[1,5-<ital>a</ital>]quinazolin-5(3<element>H</element>)-one substituted by a 4-hydroxyphenyl group at position 3. It has been isolated from <ital>Penicillium pan eum</ital>. ChEBI CHEBI:68110
      An alkaloid that is 3a,4-dihydroimidazo[1,5-a]quinazolin-5(3H)-one substituted by a 4-hydroxyphenyl group at position 3. It has been isolated from Penicillium pan; eum. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68110

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.751
Molar Refractivity: 77.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.10
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.42
Polar Surface Area: 65 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 63.0±7.0 dyne/cm
Molar Volume: 190.9±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement