Molecule ID: 71768076

IUPAC Name: (1R,4R,8R,9S,11E,13R,14S,17R,18S)-6,14-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatetracyclo[11.7.0.01,17.04,8]icosa-6,11,15-triene-2,5,20-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]3C(C)=C(C)[C@@H](O)[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][Branch1][C][C][=C][Branch1][C][C][C@@H1][Branch1][C][O][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/c1-15-8-7-10-22-28(36)17(3)16(2)27-24(12-19-14-33-23-11-6-5-9-20(19)23)34-31(39)32(22,27)25(35)13-21-26(15)18(4)29(37)30(21)38/h5-7,9-11,14-15,21-22,24,26-28,33,36-37H,8,12-13H2,1-4H3,(H,34,39)/b10-7+/t15-,21+,22-,24-,26-,27-,28+,32+/m0/s1

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 2.5