(+)-Bisnorobamegine

AlkaPlorer ID: AK180568

Synonym: "N,N'-Didemethylobamegine"

IUPAC Name: (1S,14R)-20,25-dimethoxy-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene-9,21-diol

Structure

SMILES: COC1=C2C=C3C(=C1)CCN[C@H]3CC1=CC=C(C=C1)OC1=CC(=CC=C1O)C[C@H]1NCCC3=C1C(=C(O)C(OC)=C3)O2

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

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InChIKey: XLTWCUYOTYAHOX-IZZNHLLZSA-N

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Source

Properties Information

Molecule Weight: 566.6540000000003

TPSA: 101.44

MolLogP: 5.872000000000007

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information