Akagerine
AlkaPlorer ID: AK283620
Synonym: α-Ethylidene-1,2,3,3a,4,5,6,7-octahydro-7-hydroxy-3-methyl-3,7a-diazacyclohepta[jk]fluorene-5-acetaldehyde
IUPAC Name: (E)-2-(9-hydroxy-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-7-yl)but-2-enal
Structure
SMILES: C/C=C(/C=O)C1CC2C3=C(CCN2C)C2=CC=CC=C2N3C(O)C1
InChI: InChI=1S/C20H24N2O2/c1-3-13(12-23)14-10-18-20-16(8-9-21(18)2)15-6-4-5-7-17(15)22(20)19(24)11-14/h3-7,12,14,18-19,24H,8-11H2,1-2H3/b13-3-
InChIKey: LGSDYQBPJKYJCT-DXNYSGJVSA-N
Source
Properties Information
Molecule Weight: 324.42400000000004
TPSA？: 45.47
MolLogP？: 3.216400000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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