ChemSpider 2D Image | 4-methoxymagnaldehyde B | C19H18O3

4-methoxymagnaldehyde B

  • Molecular FormulaC19H18O3
  • Average mass294.344 Da
  • Monoisotopic mass294.125580 Da
  • ChemSpider ID28284727

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

(2E)-3-(5'-Allyl-2'-hydroxy-4-methoxy-3-biphenylyl)acrylaldehyd [German] [ACD/IUPAC Name]
(2E)-3-(5'-Allyl-2'-hydroxy-4-methoxy-3-biphenylyl)acrylaldehyde [ACD/IUPAC Name]
(2E)-3-(5'-Allyl-2'-hydroxy-4-méthoxy-3-biphénylyl)acrylaldéhyde [French] [ACD/IUPAC Name]
2-Propenal, 3-[2'-hydroxy-4-methoxy-5'-(2-propen-1-yl)[1,1'-biphenyl]-3-yl]-, (2E)- [ACD/Index Name]
4-methoxymagnaldehyde B
(2E)-3-(5'-allyl-2'-hydroxy-4-methoxybiphenyl-3-yl)acrylaldehyde
(2E)-3-[2'-hydroxy-4-methoxy-5'-(prop-2-en-1-yl)biphenyl-3-yl]prop-2-enal
5'-allyl-2'-hydroxyphenyl-4-methoxy-3-cinnamic aldehyde
  • Miscellaneous

    • Chemical Class:

      A lignan that consists of cinnamaldehyde substituted by a methoxy group at position 2 and a 4-allylphenolic group at position 5. Isolated from <ital>Magnolia obovata</ital>, it exhibits antineoplastic activity. ChEBI CHEBI:66705
      A lignan that consists of cinnamaldehyde substituted by a methoxy group at position 2 and a 4-allylphenolic group at position 5. Isolated from Magnolia obovata, it exhibits antineoplastic activity. ChEBI CHEBI:66705
      A lignan that consists of cinnamaldehyde substituted by a methoxy group at position 2 and a 4-allylphenolic group at position 5. Isolated from Magnolia obovata, it exhibits antineoplastic; activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66705

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

Density: 1.1±0.1 g/cm3
Boiling Point: 483.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 174.2±22.2 °C
Index of Refraction: 1.604
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 387.08
ACD/KOC (pH 5.5): 2477.09
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 385.30
ACD/KOC (pH 7.4): 2465.73
Polar Surface Area: 47 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 259.9±3.0 cm3

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