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berbamunine

AlkaPlorer ID: AK006569

Synonym: 'Guattegaumerine', '(1S)-1,2,3,4-tetrahydro-1-4-2-hydroxy-5-(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol', 'Magnolin', '(-)-N,N-dimethyllindoldhamine', 'Magnoline', "N,N'-Dimethyllindoldhamine", '(1S)-1,2,3,4-Tetrahydro-1-4-2-hydroxy-5-(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinylmethylphenoxyphenylmethyl-6-methoxy-2-methyl-7-isoquinolinol', '7-Isoquinolinol, 1,2,3,4-tetrahydro-1-((4-(2-hydroxy-5-((1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)phenyl)methyl)-6-methoxy-2-methyl-, (R-(R*,R*))-', "1'betaH-Berbamunine", "(-)-N,N'-Dimethyllindoldhamine", 'Dauriciline', 'Grisabutine', 'guattegaumerine', 'Berbamunine', 'Grisebachinine (grisabutine?)', "7,7'-Demethyldauricine", '(+)-Berbamunine'

IUPAC Name: (1R)-1-[[4-[2-hydroxy-5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

Structure

SMILES: COC1=CC2=C(C=C1O)[C@@H](CC1=CC=C(OC3=CC(C[C@H]4C5=CC(O)=C(OC)C=C5CCN4C)=CC=C3O)C=C1)N(C)CC2

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InChI: InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30+/m1/s1

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InChIKey: FDABVSXGAMFQQH-IHLOFXLRSA-N

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Properties Information

Molecule Weight: 596.7240000000002

TPSA？: 94.86

MolLogP？: 6.156300000000007

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information