Molecule ID: 4412951

IUPAC Name: 1-hydroxy-2-prop-2-enylanthracene-9,10-dione

Description: The molecule is a monohydroxyanthraquinone that is 9,10-anthraquinone in which the hydrogens at positions 1 and 2 are replaced by a hydroxy and an allyl group, respectively. It has a role as an EC 1.4.1.3 {glutamate dehydrogenase [NAD(P)(+)]} inhibitor.

SMILES: C=CCc1ccc2c(c1O)C(=O)c1ccccc1C2=O

SELFIES: [C][=C][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O]

InChI: InChI=1S/C17H12O3/c1-2-5-10-8-9-13-14(15(10)18)17(20)12-7-4-3-6-11(12)16(13)19/h2-4,6-9,18H,1,5H2

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 4.1