N-Demethylhuperzinine

AlkaPlorer ID: AK056965

Synonym: ''

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

Structure

SMILES: C=C[C@H]1[C@H]2C=C(C)C[C@]1(NC)C1=CC=C(O)N=C1C2

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InChI: InChI=1S/C16H20N2O/c1-4-12-11-7-10(2)9-16(12,17-3)13-5-6-15(19)18-14(13)8-11/h4-7,11-12,17H,1,8-9H2,2-3H3,(H,18,19)/t11-,12-,16+/m0/s1

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InChIKey: GSNAOXZKMHHMJN-MQIPJXDCSA-N

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Properties Information

Molecule Weight: 256.349

TPSA: 45.15

MolLogP: 2.5264000000000006

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information