Molecule ID: 71768064

IUPAC Name: (1S,3Z,5S,6R,7E,9S,11E,13S,16S,17R,18S)-5,6-dihydroxy-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. It has a role as a Chaetomium metabolite and an antineoplastic agent. 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)[C@@H](O)[C@@H](O)/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@@H1][Branch1][C][O][C@@H1][Branch1][C][O][/C][=C][\C][=Branch1][C][=O][C@][Ring2][Ring1][C][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][Ring2][C]

InChI: InChI=1S/C32H38N2O4/c1-18-8-7-9-23-15-19(2)21(4)29-26(16-22-17-33-25-11-6-5-10-24(22)25)34-31(38)32(23,29)28(36)13-12-27(35)30(37)20(3)14-18/h5-7,9-15,17-18,21,23,26-27,29-30,33,35,37H,8,16H2,1-4H3,(H,34,38)/b9-7+,13-12-,20-14+/t18-,21+,23-,26-,27-,29-,30+,32+/m0/s1

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: 3.8