Molecule ID: 5491812

IUPAC Name: 8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)-5-(3-methylbut-2-enyl)xanthen-9-one

Description: The molecule is a xanthone that is xanthen-9-one bearing hydroxymethyl, 3,3-dimethylallyloxy, methyl, 3,3-dimethylallyl and hydroxy groups at positions 1, 2, 3, 5 and 8 respectively. A secondary metabolite produced by Aspergillus nidulans. It has a role as a metabolite. It is a member of xanthones, an aromatic ether and a member of phenols.

SMILES: CC(C)=CCOc1c(C)cc2oc3c(CC=C(C)C)ccc(O)c3c(=O)c2c1CO

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

InChI: InChI=1S/C25H28O5/c1-14(2)6-7-17-8-9-19(27)22-23(28)21-18(13-26)24(29-11-10-15(3)4)16(5)12-20(21)30-25(17)22/h6,8-10,12,26-27H,7,11,13H2,1-5H3

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 6.0