Found 1 result

Search term: narcotine hemiacetal (Found by synonym)
ChemSpider 2D Image | (3S)-6,7-Dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-ol | C22H25NO7

(3S)-6,7-Dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-ol

  • Molecular FormulaC22H25NO7
  • Average mass415.436 Da
  • Monoisotopic mass415.163116 Da
  • ChemSpider ID58829923

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S)-6,7-Dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isochinolin-5-yl]-1,3-dihydro-2-benzofuran-1-ol [German] [ACD/IUPAC Name]
(3S)-6,7-Diméthoxy-3-[(5R)-4-méthoxy-6-méthyl-5,6,7,8-tétrahydro[1,3]dioxolo[4,5-g]isoquinoléin-5-yl]-1,3-dihydro-2-benzofuran-1-ol [French] [ACD/IUPAC Name]
(3S)-6,7-Dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-ol [ACD/IUPAC Name]
1-Isobenzofuranol, 1,3-dihydro-6,7-dimethoxy-3-[(5R)-5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (3S)- [ACD/Index Name]
(-)-narcotine hemiacetal
(-)-noscapine hemiacetal
(-)-α-narcotine hemiacetal
narcotine hemiacetal
narcotinehemiacetal
noscapine hemiacetal
  • Miscellaneous

    • Chemical Class:

      A lactol that is (-)-noscapine [which is also known as (-)-alpha-narcotine] in which the carbonyl group of the lactone moiety has been reduced to give the corresponding la; ctol. It is the biosyntheti c precursor of (-)-noscapine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:141667
      A lactol that is (-)-noscapine [which is also known as (-)-alpha-narcotine] in which the carbonyl group of the lactone moiety has been reduced to give the corresponding lactol. It is the biosynthetic precursor of (-)-noscapine. ChEBI CHEBI:141667

    • Compound Source:

      Aquilegia coerulea PlantCyc CPD-14833
      Camptotheca acuminata PlantCyc CPD-14833
      Linum usitatissimum PlantCyc CPD-14833
      noscapine biosynthesis PlantCyc CPD-14833
      Rosa chinensis PlantCyc CPD-14833
      Vitis vinifera PlantCyc CPD-14833

    • Bio Activity:

      narcotinehemiacetal + NAD+ -> noscapine + NADH + H+ PlantCyc CPD-14833
      papaveroxine -> narcotinehemiacetal PlantCyc CPD-14833

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

Density: 1.3±0.1 g/cm3
Boiling Point: 539.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.9±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 108.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 21.73
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 22.25
ACD/KOC (pH 7.4): 304.32
Polar Surface Area: 79 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 310.7±3.0 cm3

Click to predict properties on the Chemicalize site


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