Molecule ID: 33306

IUPAC Name: 4-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one

Description: The molecule is a furanocoumarin that is 7H-furo[3,2-g][1]benzopyran-7-one substituted by a [(2S)-3,3-dimethyloxiran-2-yl]methoxy group at position 4. It has a role as a plant metabolite. It is a furanocoumarin, a lactone and an epoxide.

SMILES: CC1(C)O[C@H]1COc1c2ccoc2cc2oc(=O)ccc12

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

InChI: InChI=1S/C16H14O5/c1-16(2)13(21-16)8-19-15-9-3-4-14(17)20-12(9)7-11-10(15)5-6-18-11/h3-7,13H,8H2,1-2H3/t13-/m0/s1

Molecular Properties:
- Polar Surface Area: 61.2 Ų
- LogP: 2.6