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Search term: 24676109 (Found by CSID)
ChemSpider 2D Image | mollicellin K | C21H18O7

mollicellin K

  • Molecular FormulaC21H18O7
  • Average mass382.363 Da
  • Monoisotopic mass382.105255 Da
  • ChemSpider ID24676109

More details:

Featured data source
Natural Product Updates

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

1179374-63-0 [RN]
11H-Dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde, 3,7-dihydroxy-1,9-dimethyl-8-(3-methyl-1-oxo-2-buten-1-yl)-11-oxo- [ACD/Index Name]
3,7-Dihydroxy-1,9-dimethyl-8-(3-methyl-2-butenoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carbaldehyd [German] [ACD/IUPAC Name]
3,7-Dihydroxy-1,9-dimethyl-8-(3-methyl-2-butenoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde [ACD/IUPAC Name]
3,7-Dihydroxy-1,9-diméthyl-8-(3-méthyl-2-butenoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxépine-4-carbaldéhyde [French] [ACD/IUPAC Name]
mollicellin K
3,7-dihydroxy-1,9-dimethyl-8-(3-methylbut-2-enoyl)-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-4-carbaldehyde
68455-12-9 [RN]
MOLLICELLINS
UNII-B811E427JV

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

B9ED157N2D [DBID]
UNII:B9ED157N2D [DBID]
UNII-B9ED157N2D [DBID]
  • Miscellaneous

    • Chemical Class:

      A member of the class of depsidones that is 11<element>H</element>-dibenzo[<ital>b,e</ital>][1,4]dioxepine substituted by hydroxy groups at positions 3 and 7, methyl groups at positions 1 and 9, a 3-m ethylbut-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from <ital>Chaetomium brasiliense</ital>, it exhibits antimalarial, antimycobacterial and c ytotoxic activities. ChEBI CHEBI:68724
      A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 7, methyl groups at positions 1 and 9, a 3-m; ethylbut-2-enoyl group at posi tion 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial, antimycobacterial and c; ytotoxic activities. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68724
      A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 7, methyl groups at positions 1 and 9, a 3-methylbut-2-enoyl group at positi on 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial, antimycobacterial and cytotoxic activities. ChEBI CHEBI:68724

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 648.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.0±3.0 kJ/mol
Flash Point: 232.1±25.0 °C
Index of Refraction: 1.648
Molar Refractivity: 101.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 1963.12
ACD/KOC (pH 5.5): 7371.91
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 36.25
ACD/KOC (pH 7.4): 136.12
Polar Surface Area: 110 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 277.9±3.0 cm3

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