(1S,2S,4S,8S,9R,11S)-8-[(1E,3E,5E)-5-methylhepta-1,3,5-trien-1-yl]-3-oxa-7-azatetracyclo[5.4.0.0²,⁴.0⁹,¹¹]undecan-1-ol

AlkaPlorer ID: AK400798

Synonym: None

IUPAC Name: (1S,2R,4R,8S,9R,11S)-8-[(1E,3E,5E)-5-methylhepta-1,3,5-trienyl]-3-oxa-7-azatetracyclo[5.4.0.02,4.09,11]undecan-1-ol

Structure

SMILES: C/C=C(C)/C=C/C=C/[C@H]1[C@@H]2C[C@@H]2[C@]2(O)[C@@H]3O[C@@H]3CCN12

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InChI: InChI=1S/C17H23NO2/c1-3-11(2)6-4-5-7-14-12-10-13(12)17(19)16-15(20-16)8-9-18(14)17/h3-7,12-16,19H,8-10H2,1-2H3/b6-4+,7-5+,11-3+/t12-,13+,14+,15-,16-,17+/m1/s1

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InChIKey: HLRLKFALZVILBO-HRYKOHBRSA-N

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Source

Properties Information

Molecule Weight: 273.376

TPSA: 36.0

MolLogP: 2.245

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information