Molecule ID: 134716600

IUPAC Name: 3-(3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl)-1H-indole;4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene

Description: The molecule is any member of large group of hapalindole-type alkaloids that are bioactive metabolites of the Subsection V (formerly order Stigonematales)in the phylum Cyanobacteria which have either a tetracyclic structure based on 10-isocyano-6,6,9-trimethyl-9-vinyl-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole, or a tricyclic structure resulting from the cleavage of the bond linking the indole ring to the dimethyl-substituted carbon. It has a role as a bacterial metabolite.

SMILES: [C-]#[N+]C1C(c2c[nH]c3ccccc23)C(C(=C)C)CCC1(C)C=C.[C-]#[N+]C1C2c3c[nH]c4cccc(c34)C(C)(C)C2CCC1(C)C=C

SELFIES: [C-1][#N+1][C][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=C][C][C][C][C][Ring2][Ring1][C][Branch1][C][C][C][=C].[C-1][#N+1][C][C][C][=C][NH1][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch2][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring1][=C][C][C][C][Ring2][Ring1][C][Branch1][C][C][C][=C]

InChI: InChI=1S/2C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3;1-6-21(4)12-11-15(14(2)3)19(20(21)22-5)17-13-23-18-10-8-7-9-16(17)18/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3;6-10,13,15,19-20,23H,1-2,11-12H2,3-4H3

Molecular Properties:
- Polar Surface Area: 40.3 Ų
- LogP: nan