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Introduction
Desoxylimonin is a triterpenoid compound with oral activity, which can be found in grapefruit seeds Desoxylimonin has antiproliferative activity against breast cancer cells, and its derivatives show better anticancer \ analgesic and anti-inflammatory activities
Names and Identifiers
  • 4H,6H,8H-Pyrano[4',3':3,3a]isobenzofuro[5,4-f][2]benzopyran-4,11,13(7H,14H)-trione,9-(3-furanyl)-1,2a,3,6b,8a,9,12b,14a-octahydro-1,1,8a,12b-tetramethyl-,(2aS,6aR,6bR,8aR,9R,12bR,14aR)- (9CI)
  • 4H,6H,8H-Pyrano[4',3':3,3a]isobenzofuro[5,4-f][2]benzopyran-4,11,13(7H,14H)-trione,9-(3-furanyl)-1,2a,3,6b,8a,9,12b,14a-octah
  • DEOXYLIMONIN
  • DESOXYLIMONIN
  • Deoxylimonin
  • AI3-37933
  • NSC 314317
  • CHEBI:168480
  • NSC314317
  • 18-(uran-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione
  • 18-(furan-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione
  • DTXSID20912999
  • Limonoic acid, 14,15-deepoxy-14,15-dehydro-, di-delta-lactone
  • 989-23-1
  • NS00015861
  • 1-(Furan-3-yl)-4b,7,7,14a-tetramethyl-6a,7,12b,13,14,14a-hexahydro-1H,8aH,12H-pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[2,1-c]pyran-3,5,10(4bH,6H,9H)-trione
  • NSC-314317
  • XD161699
  • InChIKey:QUTATOGBENCRSS-UHFFFAOYSA-N
  • Inchi:InChI=1S/C26H30O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,19,22H,5,7,9,11,13H2,1-4H3
  • SMILES:CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C3=CC(=O)OC5C6=COC=C6)C)C)C
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 454.19915329 g/mol
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Rotatable Bond Count: 1
  • Monoisotopic Mass: 454.19915329 g/mol
  • Heavy Atom Count: 33
  • Complexity: 968
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 2.2
  • Topological Polar Surface Area: 92Ų
  • Molecular Weight: 454.5

Experimental Properties

  • Melting Point: 323-325°C
Price Data Available
Brand:Mce Supplier:MedChemExpress
No. Purity Stock Specification Price update time operate
HY-N7640-1mg 99.49% In-stock 1mg ¥900 15 Apr. 2024
HY-N7640-10mg 99.49% In-stock 10mg ¥3200 15 Apr. 2024
HY-N7640-5mg 99.49% In-stock 5mg ¥2200 15 Apr. 2024
Brand:trc Supplier:TRC
No. Purity Stock Specification Price update time operate
D214410-1mg 0.0 1mg $ 295.00/ ¥2,142.64 05 Jun. 2022
D214410-2.5mg 0.0 2.5mg $ 460.00/ ¥3,341.07 05 Jun. 2022
D214410-5mg 0.0 5mg $ 970.00/ ¥7,045.30 05 Jun. 2022
Brand:targetmol Supplier:TargetMol Chemicals
No. Purity Stock Specification Price update time operate
TN7059-1 ml * 10 mm 99.43% 现货 1 ml * 10 mm ¥ 2660 22 May. 2024
TN7059-25mg 99.43% 现货 25mg ¥ 4270 22 May. 2024
TN7059-10mg 99.43% 现货 10mg ¥ 2530 22 May. 2024
TN7059-1mg 99.43% 现货 1mg ¥ 697 22 May. 2024
TN7059-5mg 99.43% 现货 5mg ¥ 1710 22 May. 2024
TN7059-1 mL * 10 mM (in DMSO) 99.43% 上海现货 1 mL * 10 mM (in DMSO) ¥ 2660 15 Sep. 2023
TN7059-5 mg 99.43% 上海现货 5mg ¥ 1,710 11 Jul. 2023
Brand:1pchem Supplier:1PlusChem
No. Purity Stock Specification Price update time operate
1P01EEQ5-10mg 99% 1 week 10mg $586.00/ ¥4,256.24 19 Apr. 2024
1P01EEQ5-5mg 99% 1 week 5mg $369.00/ ¥2,680.12 19 Apr. 2024
1P01EEQ5-1mg 99% 1 week 1mg $191.00/ ¥1,387.27 19 Apr. 2024
Brand:aaron Supplier:Aaron
No. Purity Stock Specification Price update time operate
AR01EEYH-5mg 97% In Stock (China) 5mg $349.00/ ¥2,534.86 20 May. 2024
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