Molecule ID: 126961227

IUPAC Name: (4S)-2-(4-hydroxyphenyl)-4H-chromene-3,4,5,7-tetrol

Description: The molecule is a chromenol that is 2-(4-hydroxyphenyl)-4H-1-benzopyran carrying four additional hydroxy substituents at positions 3, 4, 5 and 7. It is a chromenol, an enol, a polyphenol and a secondary allylic alcohol. It is a conjugate acid of a (4S)-2,3-dehydroleucopelargonidin(1-).

SMILES: OC1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@H]1O

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

InChI: InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13,16-20H/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 1.1