ChemSpider 2D Image | macaflavanone G | C30H36O6

macaflavanone G

  • Molecular FormulaC30H36O6
  • Average mass492.603 Da
  • Monoisotopic mass492.251190 Da
  • ChemSpider ID24636438

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'R)-5,7,8'-Trihydroxy-2'-methyl-6-(3-methyl-2-buten-1-yl)-2'-(4-methyl-3-penten-1-yl)-2,3,3',4'-tetrahydro-2'H,4H-2,5'-bichromen-4-on [German] [ACD/IUPAC Name]
(2S,2'R)-5,7,8'-Trihydroxy-2'-methyl-6-(3-methyl-2-buten-1-yl)-2'-(4-methyl-3-penten-1-yl)-2,3,3',4'-tetrahydro-2'H,4H-2,5'-bichromen-4-one [ACD/IUPAC Name]
(2S,2'R)-5,7,8'-Trihydroxy-2'-méthyl-6-(3-méthyl-2-butén-1-yl)-2'-(4-méthyl-3-pentén-1-yl)-2,3,3',4'-tétrahydro-2'H,4H-2,5'-bichromén-4-one [French] [ACD/IUPAC Name]
[2,5'-Bi-2H-1-benzopyran]-4(3H)-one, 3',4'-dihydro-5,7,8'-trihydroxy-2'-methyl-6-(3-methyl-2-buten-1-yl)-2'-(4-methyl-3-penten-1-yl)-, (2S,2'R)- [ACD/Index Name]
1075194-71-6 [RN]
macaflavanone G
(2S)-5,7-dihydroxy-2-[(2R)-8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromen-5-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
(2S,2'R)-5,7,8'-trihydroxy-2'-methyl-6-(3-methylbut-2-en-1-yl)-2'-(4-methylpent-3-en-1-yl)-2,3,3',4'-tetrahydro-2'H,4H-2,5'-bichromen-4-one
  • Miscellaneous

    • Chemical Class:

      A trihydroxyflavanone that is (2<stereo>S</stereo>)-flavanone substituted by hydroxy groups at positions 5, 7 and 4', a prenyl group at position 6 and a (2<stereo>S</stereo>)-2-methyl-2-(4-methylpent- 3-en-1-yl)tetrahydro-2<element>H</element>-pyran ring fused across positions 2' and 3'. Isolated from the leaves of <ital>Macaranga tanarius</ital>, it exhibits antineoplastic activity. ChEBI CHEBI:66647
      A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 4', a prenyl group at position 6 and a (2S)-2-methyl-2-(4-methylpent-; 3-en-1-yl)tetrahydro-2H-pyran ri ng fused across positions 2' and 3'. Isolated from the leaves of Macaranga tanarius, it exhibits antineoplastic activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66647
      A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 4', a prenyl group at position 6 and a (2S)-2-methyl-2-(4-methylpent-3-en-1-yl)tetrahydro-2H-pyran ring fused across positions 2' and 3'. Isolated from the leaves of Macaranga tanarius, it exhibits antineoplastic activity. ChEBI CHEBI:66647

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

Density: 1.2±0.1 g/cm3
Boiling Point: 681.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 221.7±25.0 °C
Index of Refraction: 1.593
Molar Refractivity: 139.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 8.99
ACD/LogD (pH 5.5): 7.87
ACD/BCF (pH 5.5): 565600.25
ACD/KOC (pH 5.5): 455521.41
ACD/LogD (pH 7.4): 7.71
ACD/BCF (pH 7.4): 388470.34
ACD/KOC (pH 7.4): 312865.03
Polar Surface Area: 96 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 412.3±3.0 cm3

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