Annotinine

AlkaPlorer ID: AK015124

Synonym: '', 'Annotinine'

IUPAC Name: None

Structure

SMILES: C[C@@H]1C[C@@]23[C@@H]4CCC[NH+]2C[C@H]2O[C@H]2[C@@]13[C@@H]1C[C@H]4OC1=O

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InChI: InChI=1S/C16H21NO3/c1-8-6-15-9-3-2-4-17(15)7-12-13(19-12)16(8,15)10-5-11(9)20-14(10)18/h8-13H,2-7H2,1H3/p+1/t8-,9-,10-,11-,12-,13-,15+,16+/m1/s1

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InChIKey: MVITYUVPZPGMRM-LZPZFNHJSA-O

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Source

Properties Information

Molecule Weight: 276.356

TPSA: 43.27

MolLogP: -0.2273999999999987

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information