berbamunine
AlkaPlorer ID: AK006571
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: (1S)-1-[[4-[2-hydroxy-5-[[(1R)-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=C(O)C=C2C(=C1)CCN(C)[C@@H]2CC1=CC=C(O)C(OC2=CC=C(C[C@H]3C4=CC(O)=C(OC)C=C4CCN3C)C=C2)=C1
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
Reference
Berberis alkaloids XIII. An investigation of the alkaloids of Berberis heteropoda
PubChem CID: 440585
CAS: 485-18-7
LOTUS: LTS0151399
SuperNatural Ⅲ: SN0082427-03
NPASS: NPC132332
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis amurensis | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 596.724
TPSA？: 94.86
MolLogP？: 6.156300000000008
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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