berbamunine
Chemical Formula:
C36H42N2O6
Molecular Weight:
598.738 Daltons
Monoisotopic Mass:
598.3042870912 Daltons
SMILES:
C[N+]2(CCC1(=CC(=C(O)C=C1[CH]2CC3(C=CC(=CC=3)OC4(=C(C=CC(=C4)C[CH]6([N+](C)CCC5(=CC(=C(O)C=C56)OC)))O)))OC))
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
InChIKey:
Synonyms
- (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
Databases
MetaCyc:
BERBAMUNINE
ChEBI:
57894
PubChem (CID):
46931116
KEGG:
C05177
CAS:
485-18-7
Seed:
cpd03082
MetaNetX:
MNXM3218