Molecule ID: 25164050

IUPAC Name: 2,5-dihydroxy-3,6-bis[1-(2-methylbutan-2-yl)indol-3-yl]cyclohexa-2,5-diene-1,4-dione

Description: The molecule is a member of the class of dihydroxy-1,4-benzoquinones that is asterriquinone in which the double bonds in both of the N-(3-methylbut-1-en-3-yl) groups have been reduced to single bonds. It is a member of asterriquinones and a member of dihydroxy-1,4-benzoquinones.

SMILES: CCC(C)(C)n1cc(C2=C(O)C(=O)C(c3cn(C(C)(C)CC)c4ccccc34)=C(O)C2=O)c2ccccc21

SELFIES: [C][C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch2][Ring2][#C][C][=C][Branch1][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch2][C][=C][N][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][=C][Branch1][C][O][C][Ring2][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][P]

InChI: InChI=1S/C32H34N2O4/c1-7-31(3,4)33-17-21(19-13-9-11-15-23(19)33)25-27(35)29(37)26(30(38)28(25)36)22-18-34(32(5,6)8-2)24-16-12-10-14-20(22)24/h9-18,35,38H,7-8H2,1-6H3

Molecular Properties:
- Polar Surface Area: 84.5 Ų
- LogP: 6.0