ChemSpider 2D Image | tanariflavanone C | C30H36O7

tanariflavanone C

  • Molecular FormulaC30H36O7
  • Average mass508.603 Da
  • Monoisotopic mass508.246094 Da
  • ChemSpider ID9572979

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-[2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-6-(2-hydroxy-3-methyl-3-buten-1-yl)-4H-1-benzopyran-4-one
(2S)-2-{2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3,4-dihydroxyphenyl}-5,7-dihydroxy-6-(2-hydroxy-3-methyl-3-buten-1-yl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(2S)-2-{2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3,4-dihydroxyphenyl}-5,7-dihydroxy-6-(2-hydroxy-3-methyl-3-buten-1-yl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(2S)-2-{2-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-3,4-dihydroxyphényl}-5,7-dihydroxy-6-(2-hydroxy-3-méthyl-3-butén-1-yl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3,4-dihydroxyphenyl]-2,3-dihydro-5,7-dihydroxy-6-(2-hydroxy-3-methyl-3-buten-1-yl)-, (2S)- [ACD/Index Name]
856680-00-7 [RN]
tanariflavanone C
(2S)-2-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,4-dihydroxyphenyl}-5,7-dihydroxy-6-(2-hydroxy-3-methylbut-3-en-1-yl)-2,3-dihydro-4H-chromen-4-one
(2S)-5,7,3',4'-tetrahydroxy-6-(2-hydroxy-3-methylbut-3-enyl)-2'-(geranyl)flavanone
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518874/
  • Miscellaneous

    • Chemical Class:

      A tetrahydroxyflavanone that is (2<stereo>S</stereo>)-flavanone substituted by hydroxy groups at positions 5,7, 3' and 4', a geranyl group at position 2' and a 2-hydroxy-3-methylbut-3-en-1yl group at position 6. Isolated from <ital>Macaranga tanarius</ital>, it exhibits radical scavenging activity. ChEBI CHEBI:66190
      A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5,7, 3' and 4', a geranyl group at position 2' and a 2-hydroxy-3-methylbut-3-en-1yl group at ; position 6. Iso lated from Macaranga tanarius, it exhibits radical scavenging activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66190
      A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5,7, 3' and 4', a geranyl group at position 2' and a 2-hydroxy-3-methylbut-3-en-1yl group at position 6. Isola ted from Macaranga tanarius, it exhibits radical scavenging activity. ChEBI CHEBI:66190

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

Density: 1.2±0.1 g/cm3
Boiling Point: 759.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.1±3.0 kJ/mol
Flash Point: 248.2±26.4 °C
Index of Refraction: 1.618
Molar Refractivity: 143.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 6.66
ACD/BCF (pH 5.5): 67564.58
ACD/KOC (pH 5.5): 99276.55
ACD/LogD (pH 7.4): 6.31
ACD/BCF (pH 7.4): 30413.58
ACD/KOC (pH 7.4): 44688.43
Polar Surface Area: 127 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 408.5±3.0 cm3

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