Molecule ID: 442546

IUPAC Name: 2,4,6-trihydroxy-3-(3-phenylpropanoyl)benzaldehyde

Description: The molecule is a member of the class of dihydrochalcones that is dihydrochalcone with hydroxy substituents at positions 2' ,4' , and 6' and a formyl substituent at position 3'. It has a role as a metabolite. It is a member of dihydrochalcones, a polyphenol and a member of benzaldehydes. It derives from a dihydrochalcone.

SMILES: O=Cc1c(O)cc(O)c(C(=O)CCc2ccccc2)c1O

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

InChI: InChI=1S/C16H14O5/c17-9-11-13(19)8-14(20)15(16(11)21)12(18)7-6-10-4-2-1-3-5-10/h1-5,8-9,19-21H,6-7H2

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 3.0