alpha-Obscurine

AlkaPlorer ID: AK010551

Synonym: '', 'alpha-Obscurine', 'sauroxine', 'Sauroxine'

IUPAC Name: (1R,9S,10S,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one

Structure

SMILES: C[C@@H]1C[C@H]2CC3=C(CCC(O)=N3)[C@@]3(C1)[C@H]2CCCN3C

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InChI: InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12+,13+,17-/m1/s1

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InChIKey: HXJHQEWSHQXRPH-ZOPJHEKZSA-N

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Properties Information

Molecule Weight: 274.408

TPSA: 35.830000000000005

MolLogP: 3.521200000000002

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information