Molecule ID: 11570022

IUPAC Name: (1R,4R,8R,9S,11E,13R,14S,16R,17S,18R,19S)-6-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azapentacyclo[11.8.0.01,18.04,8.014,16]henicosa-6,11-diene-2,5,21-trione

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

SMILES: CC1=C(O)C(=O)[C@@H]2CC(=O)[C@@]34C(O)=N[C@@H](Cc5c[nH]c6ccccc56)[C@@H]3[C@H](C)[C@@]3(C)O[C@H]3[C@@H]4/C=C/C[C@H](C)[C@@H]12

SELFIES: [C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][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][Branch1][C][C][C@@][Branch1][C][C][O][C@H1][Ring1][Ring2][C@@H1][Ring2][Ring1][#Branch1][/C][=C][/C][C@H1][Branch1][C][C][C@@H1][Ring2][Ring2][=Branch1][Ring2][Ring1][P]

InChI: InChI=1S/C32H36N2O5/c1-15-8-7-10-21-29-31(4,39-29)17(3)26-23(12-18-14-33-22-11-6-5-9-19(18)22)34-30(38)32(21,26)24(35)13-20-25(15)16(2)27(36)28(20)37/h5-7,9-11,14-15,17,20-21,23,25-26,29,33,36H,8,12-13H2,1-4H3,(H,34,38)/b10-7+/t15-,17-,20+,21-,23-,25-,26-,29-,31+,32+/m0/s1

Molecular Properties:
- Polar Surface Area: 112.0 Ų
- LogP: 3.6