(+)-2-Norberbamine

AlkaPlorer ID: AK116655

Synonym: '2-Demethylberbamine', '2-Norberbamine'

IUPAC Name: (10S,23R)-28,29,36-trimethoxy-9-methyl-2,16-dioxa-9,24-diazaheptacyclo[21.6.2.23,6.212,15.117,21.05,10.027,31]hexatriaconta-1(29),3(36),4,6(35),12(34),13,15(33),17,19,21(32),27,30-dodecaen-18-ol

Structure

SMILES: COC1=CC2=C3C=C1OC1=C(OC)C(OC)=C4CCN[C@H](CC5=CC=C(O)C(=C5)OC5=CC=C(C=C5)C[C@@H]3N(C)CC2)C4=C1

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InChI: InChI=1S/C36H38N2O6/c1-38-14-12-23-18-32(40-2)33-19-26(23)29(38)16-21-5-8-24(9-6-21)43-31-17-22(7-10-30(31)39)15-28-27-20-34(44-33)36(42-4)35(41-3)25(27)11-13-37-28/h5-10,17-20,28-29,37,39H,11-16H2,1-4H3/t28-,29+/m1/s1

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InChIKey: NMHYEZPUNIEOEM-WDYNHAJCSA-N

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Source

Properties Information

Molecule Weight: 594.708

TPSA: 81.65

MolLogP: 6.517200000000008

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information