Inundatine

AlkaPlorer ID: AK044653

Synonym: '', 'Inundatine'

IUPAC Name: (1R,2R,4S,8R,10R,13S,15R)-8-hydroxy-15-methyl-6-azapentacyclo[8.6.0.01,6.02,13.04,10]hexadecan-11-one

Structure

SMILES: C[C@@H]1C[C@H]2CC(=O)[C@]34C[C@@H](O)CN5C[C@H]3C[C@H]2[C@@]54C1

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InChI: InChI=1S/C16H23NO2/c1-9-2-10-3-14(19)15-6-12(18)8-17-7-11(15)4-13(10)16(15,17)5-9/h9-13,18H,2-8H2,1H3/t9-,10+,11-,12-,13-,15+,16-/m1/s1

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InChIKey: BWBRKWAEVBWZTL-OROFIJSISA-N

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Reference

PubChem CID: 102578722

NPASS: NPC216322

Properties Information

Molecule Weight: 261.365

TPSA: 40.54

MolLogP: 1.4468

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information