ChemSpider 2D Image | tanariflavanone A | C30H36O7

tanariflavanone A

  • Molecular FormulaC30H36O7
  • Average mass508.603 Da
  • Monoisotopic mass508.246094 Da
  • ChemSpider ID9905619

  • 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

(8S)-8-{2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3,4-dihydroxyphenyl}-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-on [German] [ACD/IUPAC Name]
(8S)-8-{2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-3,4-dihydroxyphenyl}-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one [ACD/IUPAC Name]
(8S)-8-{2-[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]-3,4-dihydroxyphényl}-3,5-dihydroxy-2,2-diméthyl-3,4,7,8-tétrahydro-2H,6H-pyrano[3,2-g]chromén-6-one [French] [ACD/IUPAC Name]
2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 8-[2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3,4-dihydroxyphenyl]-3,4,7,8-tetrahydro-3,5-dihydroxy-2,2-dimethyl-, (8S)- [ACD/Index Name]
tanariflavanone A
(2S)-2'-geranyl-5,3',4'-trihydroxy-6,7-(2,2-dimethyl-3-hydroxychromano)flavanone
(8S)-8-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,4-dihydroxyphenyl}-3,5-dihydroxy-2,2-dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-]chromen-6-one
5,3',4'-Trihydroxy-2'-geranyl-(5''-hydroxy-6'',6''-dimethyldihydropyrano[2'',3'':7,6])flavanone
  • Miscellaneous

    • Chemical Class:

      A hydroxyflavanone with a pyranochromane skeleton that is 3,4,7,8-tetrahydro-2<element>H</element>,6<element>H</element>-pyrano[3,2-<ital>g</ital>]chromen-6-one substituted by geminal methyl groups at position 2, hydroxy groups at positions 3 and 5 and a phenyl group at position 8 which in turn is substituted by a geranyl group at position 2 and hydroxy groups at positions 3 and 4. Isolated from <ital>Macaranga tanarius</ital>, it exhibits alleopathic effect. ChEBI CHEBI:66188
      A hydroxyflavanone with a pyranochromane skeleton that is 3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one substituted by geminal methyl groups ; at position 2, hydroxy groups at positions 3 and 5 and a phenyl group at position 8 which in turn is substituted by a geranyl group at position 2 and hydroxy groups at positions 3 and 4. Isolated from Macaranga tanarius, it exhibits alleopathic effe ct. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:66188
      A hydroxyflavanone with a pyranochromane skeleton that is 3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one substituted by geminal methyl groups at position 2, hydroxy groups at positions 3 and 5 and a phenyl group at position 8 which in turn is substituted by a geranyl group at position 2 and hydroxy groups at positions 3 and 4. Isolated from Macaranga tanarius, it exhibits alleopathic effect . ChEBI CHEBI:66188

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

Density: 1.2±0.1 g/cm3
Boiling Point: 739.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 242.0±26.4 °C
Index of Refraction: 1.609
Molar Refractivity: 141.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.16
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 73701.36
ACD/KOC (pH 5.5): 105932.73
ACD/LogD (pH 7.4): 6.55
ACD/BCF (pH 7.4): 51090.22
ACD/KOC (pH 7.4): 73433.20
Polar Surface Area: 116 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 408.3±3.0 cm3

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