Chemical Properties of Nobiletin

Nobiletin

InChI
InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3
InChI Key
MRIAQLRQZPPODS-UHFFFAOYSA-N
Formula
C21H22O8
SMILES
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1OC
Molecular Weight1
402.40
Other Names
  • 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
  • 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one
  • 3',4',5,6,7,8-hexamethoxyflavone
  • 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxy-
  • Flavone, 5,6,7,8,3',4'-hexamethoxy
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Physical Properties

Property Value Unit Source
logPoct/wat 3.512 Crippen Calculated Property
McVol 286.730 ml/mol McGowan Calculated Property
Inp [3380.90; 3392.00]   Show Hide
Inp 3380.90 NIST
Inp 3392.00 NIST

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Similar Compounds

2-(3,4-Dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-4-one. Tangeretin. 3,5,6,7,8,3',4'-Heptamethoxyflavone. 4',5,7,8-TETRAMETHOXYFLAVONE. CIRSILINEOL (5,4'-DIHYDROXY-6,7,3'-TRIMETHOXYFLAVONE). Eupatorin. Jaceosidin. 4H-1-Benzopyran-4-one, 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-. 4H-1-Benzopyran-4-one, 5,6,7-trimethoxy-2-(4-methoxyphenyl)-. 3,5,6,7-Tetramethoxy-2-(4-methoxyphenyl)-4h-chromen-4-one. 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-. 4H-1-Benzopyran-4-one, 5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-. Pectolinaringenin. Isorhamnetin (4TMS). Flavone-3-rutinoside, 3,3',4',5,7-pentahydroxy.

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Mixtures

Sources

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