meleagrine
AlkaPlorer ID: AK009287
Synonym: 'Meleagrine', '71751-77-4', 'meleagrin', 'Meleagrin'
IUPAC Name: (1S,9R)-11-hydroxy-14-(1H-imidazol-5-ylmethylidene)-2-methoxy-9-(2-methylbut-3-en-2-yl)-2,13,16-triazatetracyclo[7.7.0.01,13.03,8]hexadeca-3,5,7,10-tetraene-12,15-dione
Structure
SMILES: C=CC(C)(C)[C@@]12C=C(O)C(=O)N3C(=CC4=CNC=N4)C(=O)N[C@]31N(OC)C1=CC=CC=C12
InChI: InChI=1S/C23H23N5O4/c1-5-21(2,3)22-11-18(29)20(31)27-17(10-14-12-24-13-25-14)19(30)26-23(22,27)28(32-4)16-9-7-6-8-15(16)22/h5-13,29H,1H2,2-4H3,(H,24,25)(H,26,30)/t22-,23-/m0/s1
InChIKey: JTJJJLSLKZFEPJ-GOTSBHOMSA-N
Source
Properties Information
Molecule Weight: 433.4680000000002
TPSA？: 110.79
MolLogP？: 2.3499
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
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