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berbamunine

Properties

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Occurences in reactions

MNX_ID

MNXM3218

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₃₆H₄₂N₂O₆

charge

mass

598.30319

reference

chebi:57894

InChIKey

FDABVSXGAMFQQH-XZWHSSHBSA-P

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/p+2/t29-,30+/m0/s1

SMILES

COc1cc2c(cc1O)[C@H](Cc1ccc(Oc3cc(C[C@@H]4c5cc(O)c(OC)cc5CC[NH+]4C)ccc3O)cc1)[NH+](C)CC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57894 chebi:57894	berbamunine (1S)-7-hydroxy-1-[4-(2-hydroxy-5-{[(1R)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium-1-yl]methyl}phenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium berbamunine cation berbamunine(2+) berbamuninium berbamuninium cation berbamuninium(2+)
seed.compound:cpd03082 seedM:cpd03082	Berbamunine (1S)-1,2,3,4-Tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4- tetrahydro-7-hydroxy-6-methoxy-2-methyl-1- isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7- isoquinolinol (1S)-1,2,3,4-Tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol (1S)-1,2,3,4-tetrahydro-1-[ [4-[2-hydroxy-5-[ [ (1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl ]methyl ]phenoxy ]phenyl ]methyl ]-6-methoxy-2-methyl-7-isoquinolinol berbamunine
kegg.compound:C05177 keggC:C05177	Berbamunine (1S)-1,2,3,4-Tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol
CHEBI:16777 chebi:16777	berbamunine (1S)-1,2,3,4-Tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol (1S)-1,2,3,4-tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol (1S)-1-[4-(2-hydroxy-5-{[(1R)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol Berbamunine
metacyc.compound:BERBAMUNINE metacycM:BERBAMUNINE	berbamunine (1S)-1,2,3,4-tetrahydro-1-[ [4-[2-hydroxy-5-[ [ (1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl ]methyl ]phenoxy ]phenyl ]methyl ]-6-methoxy-2-methyl-7-isoquinolinol
chebi:13892 chebi:22752 chebi:3064 keggC:M_C05177 seedM:M_cpd03082	secondary/obsolete/fantasy identifier