Molecule ID: 126961127

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

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

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

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

InChI: InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,16-21H/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 131.0 Ų
- LogP: 0.8