Sieboldine A(rel)

AlkaPlorer ID: AK101277

Synonym: '', 'sieboldine A', 'Sieboldine A'

IUPAC Name: (1R,4S,6R,9S,14S)-13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.01,9.04,9]heptadecane-2,8-dione

Structure

SMILES: C[C@H]1CC(=O)[C@]23CCCN(O)[C@@H]4CC[C@]2(O4)C(=O)C[C@@H]3C1

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InChI: InChI=1S/C16H23NO4/c1-10-7-11-9-13(19)16-5-3-14(21-16)17(20)6-2-4-15(11,16)12(18)8-10/h10-11,14,20H,2-9H2,1H3/t10-,11+,14+,15-,16+/m1/s1

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InChIKey: PKOSXQDNEYPWGG-ZEDHKUJTSA-N

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Properties Information

Molecule Weight: 293.36300000000006

TPSA: 66.84

MolLogP: 1.9211

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information