5,6-Dehydrolupanine

AlkaPlorer ID: AK006725

Synonym: '', '5,6-Dehydro-alpha-isolupanine', '5,6-Dehydrolupanine', '(+)-5,6-Dehydrolupanine'

IUPAC Name: (1S,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one

Structure

SMILES: O=C1CCC=C2[C@H]3C[C@@H](CN12)[C@@H]1CCCCN1C3

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InChI: InChI=1S/C15H22N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h5,11-13H,1-4,6-10H2/t11-,12-,13-/m0/s1

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InChIKey: GSQQGCZVTAUICD-AVGNSLFASA-N

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Properties Information

Molecule Weight: 246.354

TPSA: 23.550000000000004

MolLogP: 1.9969

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information