Molecule ID: 73685

IUPAC Name: 3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

Description: The molecule is a xanthene dye that is fluoran carrying four hydroxy substituents at positions 3', 4', 5' and 6'. It has a role as a fluorochrome, a histological dye and a G-protein-coupled receptor antagonist. It is a gamma-lactone, a polyphenol, a xanthene dye, an oxaspiro compound, an organic heteropentacyclic compound and a member of 2-benzofurans. It derives from a fluoran.

SMILES: O=C1OC2(c3ccccc31)c1ccc(O)c(O)c1Oc1c2ccc(O)c1O

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

InChI: InChI=1S/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H

Molecular Properties:
- Polar Surface Area: 116.0 Ų
- LogP: 2.7