ajaconine

AlkaPlorer ID: AK010105

Synonym: '', 'Deacetylspiramine F', '5-epi-Ajaconine', 'Ajaconine'

IUPAC Name: None

Structure

SMILES: C=C1[C@H]2CC[C@]3([C@@H](C2)[C@@]24CCC[C@@]5(C)C[NH+](CCO)[C@@H]2O[C@@H]3C[C@H]54)[C@@H]1O

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InChI: InChI=1S/C22H33NO3/c1-13-14-4-7-22(18(13)25)16(10-14)21-6-3-5-20(2)12-23(8-9-24)19(21)26-17(22)11-15(20)21/h14-19,24-25H,1,3-12H2,2H3/p+1/t14-,15+,16-,17+,18+,19+,20-,21-,22+/m0/s1

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InChIKey: RLXRCZIALRMBJR-QSRLNDOYSA-O

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Properties Information

Molecule Weight: 360.518

TPSA: 54.13000000000001

MolLogP: 1.1319999999999997

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information