Molecule ID: 71768071

IUPAC Name: (1S,3Z,7E,9S,11E,13S,16S,17R,18S)-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-3,7,11,14-tetraene-2,20-dione

Description: The molecule is a cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine. It has a role as a Chaetomium metabolite. It is a cytochalasan alkaloid, a member of indoles and a macrocycle.

SMILES: CC1=C[C@@H]2/C=C/C[C@H](C)/C=C(\C)CC/C=C\C(=O)[C@]23C(O)=N[C@@H](Cc2c[nH]c4ccccc24)[C@@H]3[C@@H]1C

SELFIES: [C][C][=C][C@@H1][/C][=C][/C][C@H1][Branch1][C][C][/C][=C][Branch1][C][\C][C][C][/C][=C][\C][=Branch1][C][=O][C@][Ring1][S][C][Branch1][C][O][=N][C@@H1][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Ring1][S][C@@H1][Ring2][Ring2][C][C]

InChI: InChI=1S/C32H38N2O2/c1-20-10-5-8-15-29(35)32-25(12-9-11-21(2)16-20)17-22(3)23(4)30(32)28(34-31(32)36)18-24-19-33-27-14-7-6-13-26(24)27/h6-9,12-17,19,21,23,25,28,30,33H,5,10-11,18H2,1-4H3,(H,34,36)/b12-9+,15-8-,20-16+/t21-,23+,25-,28-,30-,32+/m0/s1

Molecular Properties:
- Polar Surface Area: 62.0 Ų
- LogP: 6.0