Molecule ID: 3707

IUPAC Name: 3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

Description: The molecule is a member of the class of biindoles that is indirubin in which the keto group at position 3' has undergone condensation with hydroxylamine to form the corresponding oxime. It has a role as an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, an osteogenesis regulator, a neuroprotective agent and an anti-obesity agent. It is a member of oxindoles, a bisindole, a ring assembly, a ketoxime and an alkaloid.

SMILES: O=Nc1c(-c2c(O)[nH]c3ccccc23)[nH]c2ccccc12

SELFIES: [O][=N][C][=C][Branch1][P][C][=C][Branch1][C][O][NH1][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1]

InChI: InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H

Molecular Properties:
- Polar Surface Area: 81.2 Ų
- LogP: 3.2