(+)-Bisnorobamegine

AlkaPlorer ID: AK005228

Synonym: None

IUPAC Name: (1S,15R)-21,26-dimethoxy-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaene-10,22-diol

Structure

SMILES: COC1=C2C=C3[C@H](CC4=CC(=CC=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O2)C(=C(C=C7CCN6)OC)O)O)NCCC3=C1

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InChI: InChI=1S/C34H34N2O6/c1-39-29-16-21-8-10-35-25-13-19-4-3-5-23(12-19)41-28-15-20(6-7-27(28)37)14-26-32-22(9-11-36-26)17-31(40-2)33(38)34(32)42-30(29)18-24(21)25/h3-7,12,15-18,25-26,35-38H,8-11,13-14H2,1-2H3/t25-,26+/m0/s1

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InChIKey: ZXXLSALQOCKQCV-IZZNHLLZSA-N

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Source

Properties Information

Molecule Weight: 566.6540000000002

TPSA: 101.44000000000001

MolLogP: 5.872000000000008

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information