Molecule ID: 14213975

IUPAC Name: 5-hydroxy-2,2-dimethyl-3,10-bis(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one

Description: The molecule is a member of the class of coumarins that is 2H,8H-pyrano[3,2-g]chromen-2-one substituted by geminal methyl groups at position 8, a hydroxy group at position 5, and a 2-methylbut-3-en-2-yl group at positions 7 and 10. It has a role as a plant metabolite. It is a member of coumarins, a member of phenols and an organic heterotricyclic compound.

SMILES: C=CC(C)(C)C1=Cc2c(c(C(C)(C)C=C)c3oc(=O)ccc3c2O)OC1(C)C

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

InChI: InChI=1S/C24H28O4/c1-9-22(3,4)16-13-15-19(26)14-11-12-17(25)27-20(14)18(23(5,6)10-2)21(15)28-24(16,7)8/h9-13,26H,1-2H2,3-8H3

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 5.9