Molecule ID: 10429214

IUPAC Name: [1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol

Description: The molecule is a phlorotannin that is [1,4]benzodioxino[2,3-a]oxanthrene substituted by hydroxy groups at positions 1, 3, 6, 9 and 11. Isolated from the brown alga Ecklonia stolonifera, it exhibits radical scavenging activity. It has a role as a metabolite and a radical scavenger. It is a phlorotannin, an organic heteropentacyclic compound and an oxacycle. It derives from a phloroglucinol.

SMILES: Oc1cc(O)c2oc3cc(O)c4oc5cc(O)cc(O)c5oc4c3oc2c1

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

InChI: InChI=1S/C18H10O9/c19-6-1-8(21)14-11(3-6)26-17-13(24-14)5-10(23)16-18(17)27-15-9(22)2-7(20)4-12(15)25-16/h1-5,19-23H

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: 2.4