ChemSpider 2D Image | Limacine | C37H40N2O6

Limacine

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID66173

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(+)-Limacine
(1S,14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,?.1?,¹².1¹?,¹?.0²?,³¹.0²²,³³]hexatriaconta-3,5,8(34),9,11,18,20,22(33),24(32),25,27(31),35-dodecaen-21-ol
(1β)-6,6',12-Trimethoxy-2,2'-dimethylberbaman-7-ol [ACD/IUPAC Name]
(1β)-6,6',12-Trimethoxy-2,2'-dimethylberbaman-7-ol [German] [ACD/IUPAC Name]
(1β)-6,6',12-Triméthoxy-2,2'-diméthylberbaman-7-ol [French] [ACD/IUPAC Name]
436-77-1 [RN]
7-O-Demethyltetrandine
DR9280000
Fangchinoline
Frangchinoline
More...

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

953592C3ZB [DBID]
AIDS014777 [DBID]
AIDS-014777 [DBID]
NCI60_041695 [DBID]
NSC 77036 [DBID]
NSC77036 [DBID]
UNII:953592C3ZB [DBID]
  • Miscellaneous

    • Chemical Class:

      A bisbenzylisoquinoline alkaloid that is (1<stereo>beta</stereo>)- berbaman which has been substituted by methyl groups at the 2 and 2' positions, by methoxy groups at the 6, 6', and 12 positions, and by a hydroxy group at position 7. Isolated from <ital>Stephania tetrandra</ital>, it has been found to possess neuroprotective and anti-tumour activity. ChEBI CHEBI:132893
      A bisbenzylisoquinoline alkaloid that is (1beta)- berbaman which has been substituted by methyl groups at the 2 and 2' positions, by methoxy groups at the 6, 6', and 12 positions, and by a hydroxy gro up at position 7. Isolated from Stephania tetrandra, it has been found to possess neuroprotective and anti-tumour activity. ChEBI CHEBI:132893
      A bisbenzylisoquinoline alkaloid that is (1beta)- berbaman which has been substituted by methyl groups at the 2 and 2' positions, by methoxy groups at the 6, 6', and 12 positions, and; by a hydroxy g roup at position 7. Isolated from Stephania tetrandra, it has been found to possess neuroprotective and anti-tumour activity. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132893

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

Density: 1.2±0.1 g/cm3
Boiling Point: 709.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 383.0±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 173.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 171.13
ACD/KOC (pH 7.4): 838.32
Polar Surface Area: 73 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 505.6±3.0 cm3

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