Molecule ID: 23252151

IUPAC Name: 5-[(3,3-dimethyloxiran-2-yl)methyl]-8-hydroxy-1-(hydroxymethyl)-3-methyl-2-(3-methylbut-2-enoxy)xanthen-9-one

Description: The molecule is a member of the class of xanthones that is 9H-xanthen-9-one substituted by a (3,3-dimethyoxiran-2-yl)methyl group at position 5, a hydroxy group at position 8, a hydroxymethyl group at position 1, a methyl group at position 3 and a prenyloxy group at position 2. It has been isolated from Aspergillus. It has a role as an Aspergillus metabolite. It is a member of xanthones, a member of phenols, an epoxide and an aromatic primary alcohol.

SMILES: CC(C)=CCOc1c(C)cc2oc3c(CC4OC4(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][O][C][C][O][C][Ring1][Ring1][Branch1][C][C][C][C][=C][C][Branch1][C][O][=C][Ring1][=N][C][=Branch1][C][=O][C][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch1][C][O]

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

Molecular Properties:
- Polar Surface Area: 88.5 Ų
- LogP: 4.7