Selagine

AlkaPlorer ID: AK033911

Synonym: '', 'Selagine'

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

Structure

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

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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/h3-5,8,10H,6-7,16H2,1-2H3,(H,17,18)/b11-3-/t10-,15+/m0/s1

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InChIKey: APLHEOBEIBHCHW-SEQYCRGISA-N

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Reference

PubChem CID: 445884

CAS: 116-28-9

NPASS: NPC78717

Source

Properties Information

Molecule Weight: 242.322

TPSA: 59.14

MolLogP: 2.4098000000000006

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