Molecule ID: 21676260

IUPAC Name: 5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,3-dihydrochromen-4-one

Description: The molecule is a homoisoflavonoid that is 2,3-dihydro-4H-chromen-4-onethat is substituted by hydroxy groups at positions 5 and 7, a methoxy group at position 6, and a 3-hydroxy-4-methoxybenzyl group at position 3. It has been isolated from various plants, including the bulb of Cremastra appendiculata. It has a role as a plant metabolite and an angiogenesis modulating agent. It is a homoisoflavonoid, an aromatic ether and a polyphenol.

SMILES: COc1ccc(CC2COc3cc(O)c(OC)c(O)c3C2=O)cc1O

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

InChI: InChI=1S/C18H18O7/c1-23-13-4-3-9(6-11(13)19)5-10-8-25-14-7-12(20)18(24-2)17(22)15(14)16(10)21/h3-4,6-7,10,19-20,22H,5,8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 105.0 Ų
- LogP: 2.8