Molecule ID: 10498463

IUPAC Name: (2S)-5,7-dihydroxy-2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-2,3-dihydrochromen-4-one

Description: The molecule is a trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 3' and a prenyloxy group at position 4'. Isolated from Monotes engleri, it exhibits antifungal activity. It has a role as a metabolite and an antifungal agent. It is a member of 3'-hydroxyflavanones and a trihydroxyflavanone. It derives from a (2S)-flavanone.

SMILES: CC(C)=CCOc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1O

SELFIES: [C][C][Branch1][C][C][=C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C@@H1][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][O][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O]

InChI: InChI=1S/C20H20O6/c1-11(2)5-6-25-17-4-3-12(7-14(17)22)18-10-16(24)20-15(23)8-13(21)9-19(20)26-18/h3-5,7-9,18,21-23H,6,10H2,1-2H3/t18-/m0/s1

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: 3.9