Molecule ID: 14034679

IUPAC Name: 1,6,10-trihydroxy-8-methyl-7-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)-6H-benzo[c][1]benzoxepin-11-one

Description: The molecule is a dibenzooxepine that is dibenzo[b,e]oxepin-11(6H)-one which is substituted by hydroxy groups at positions 1, 6, and 10, a 3,3-dimethylallyl group at position 2, a 3,3-dimethylallyloxy group at position 7, and a methyl group at position 8. It is a lactol, a cyclic ketone, a dibenzooxepine, an arugosin A and a polyphenol. It is a tautomer of an arugosin A (hydroxy-aldehyde form).

SMILES: CC(C)=CCOc1c(C)cc(O)c2c1C(O)Oc1ccc(CC=C(C)C)c(O)c1C2=O

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

InChI: InChI=1S/C25H28O6/c1-13(2)6-7-16-8-9-18-20(22(16)27)23(28)19-17(26)12-15(5)24(21(19)25(29)31-18)30-11-10-14(3)4/h6,8-10,12,25-27,29H,7,11H2,1-5H3

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 5.9