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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > isoquinolines > benzyltetrahydroisoquinoline > berbamunine
organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > benzyltetrahydroisoquinoline > berbamunine
organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > benzyltetrahydroisoquinoline > berbamunine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > isoquinolinol > berbamunine
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > isoquinolinol > berbamunine
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > isoquinolinol > berbamunine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > isoquinolines > isoquinolinol > berbamunine
organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > isoquinolinol > berbamunine
organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > isoquinolinol > berbamunine

Preferred term

berbamunine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

alt_id

  • CHEBI:13892
  • CHEBI:22752
  • CHEBI:3064

charge

  • 0

formula

  • C36H40N2O6

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+/m0/s1

inchikey

  • FDABVSXGAMFQQH-XZWHSSHBSA-N

is_conjugate_base_of

mass

  • 596.71268

monoisotopicmass

  • 596.28864

smiles

  • COc1cc2CCN(C)[C@@H](Cc3ccc(Oc4cc(C[C@H]5N(C)CCc6cc(OC)c(O)cc56)ccc4O)cc3)c2cc1O

subset

  • 3_STAR

synonym EXACT

  • (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

synonym RELATED

  • (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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:16777

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