Molecule ID: 146026605

IUPAC Name: (3E,3aR,8bS)-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one;(3E,3aS,8bR)-3-[[(2S)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one

Description: The molecule is a racemate comprising equimolar amounts of (+)-GR24 and (-)-GR24. It has been found to inhibit lateral shoot branching (see Nature 2008, v455, 189), stimulate germination of Striga (witchweeds), and aid in the symbiosis of over 80% of terrestrial plants with fungi at arbuscular mycorrihizae in roots. It contains a (+)-GR24 and a (-)-GR24.

SMILES: CC1=C[C@@H](O/C=C2/C(=O)O[C@H]3c4ccccc4C[C@@H]23)OC1=O.CC1=C[C@H](O/C=C2/C(=O)O[C@@H]3c4ccccc4C[C@H]23)OC1=O

SELFIES: [C][C][=C][C@@H1][Branch2][Ring1][Branch2][O][/C][=C][/C][=Branch1][C][=O][O][C@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][=N][Ring1][=Branch2][O][C][Ring2][Ring1][Ring2][=O].[C][C][=C][C@H1][Branch2][Ring1][Branch2][O][/C][=C][/C][=Branch1][C][=O][O][C@@H1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Ring1][=N][Ring1][=Branch2][O][C][Ring2][Ring1][Ring2][=O]

InChI: InChI=1S/2C17H14O5/c2*1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2*2-6,8,12,14-15H,7H2,1H3/b2*13-8+/t2*12-,14-,15-/m10/s1

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: nan