Molecule ID: 11382659

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

Description: The molecule is a dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7 and 3', a methoxy group at position 4' and a prenyl group at position 5'. Isolated from Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. It has a role as an antimicrobial agent, a radical scavenger and a plant metabolite. It is a monomethoxyflavanone, a member of 3'-hydroxyflavanones, a dihydroxyflavanone and a member of 4'-methoxyflavanones. It derives from a (2S)-flavanone.

SMILES: COc1c(O)cc([C@@H]2CC(=O)c3ccc(O)cc3O2)cc1CC=C(C)C

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

InChI: InChI=1S/C21H22O5/c1-12(2)4-5-13-8-14(9-18(24)21(13)25-3)19-11-17(23)16-7-6-15(22)10-20(16)26-19/h4,6-10,19,22,24H,5,11H2,1-3H3/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 4.1