Molecule ID: 854026

IUPAC Name: (1R,9R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one

Description: The molecule is a sesquiterpene alkaloid isolated from a club moss Huperzia serrata that has been shown to exhibit neuroprotective activity. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a neuroprotective agent and a plant metabolite. It is a sesquiterpene alkaloid, a pyridone, a primary amino compound and an organic heterotricyclic compound.

SMILES: C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(O)nc1C2

SELFIES: [C][/C][=C][\C@H1][C][=C][Branch1][C][C][C][C@][Ring1][#Branch1][Branch1][C][N][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1][C][Ring1][#C]

InChI: InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18)17-13(12)7-10/h3-6,10H,7-8,16H2,1-2H3,(H,17,18)/b11-3+/t10-,15+/m0/s1

Molecular Properties:
- Polar Surface Area: 55.1 Ų
- LogP: 0.0