alpha-Obscurine

AlkaPlorer ID: AK010554

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

IUPAC Name: (1S,9R,10S,16S)-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

copy

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-/m0/s1

copy

InChIKey: HXJHQEWSHQXRPH-LKQDWFRTSA-N

copy

Reference

Lycopodium alkaloids—II

PubChem CID: 12313650

LOTUS: LTS0064637

SuperNatural Ⅲ: SN0138089-02

Source

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