Molecule ID: 70680261

IUPAC Name: 1-(3,4-dihydroxyphenyl)-3-[2-(3,4-dihydroxyphenyl)-3-hydroxyoxiran-2-yl]-2-hydroxypropan-1-one

Description: The molecule is a norlignan that is 3-deoxypentodialdo-5,4-oxirose substituted at positions 1 and 4 by 3,4-dihydroxyphenyl groups. It is isolated from the rhizomes of Curculigo crassifolia and exhibits strong radical scavenging activity. It has a role as a metabolite and a radical scavenger. It is a member of catechols, an epoxide, a tertiary alcohol, a secondary alcohol, a norlignan, an aromatic ketone and a secondary alpha-hydroxy ketone.

SMILES: O=C(c1ccc(O)c(O)c1)C(O)CC1(c2ccc(O)c(O)c2)OC1O

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

InChI: InChI=1S/C17H16O8/c18-10-3-1-8(5-12(10)20)15(23)14(22)7-17(16(24)25-17)9-2-4-11(19)13(21)6-9/h1-6,14,16,18-22,24H,7H2

Molecular Properties:
- Polar Surface Area: 151.0 Ų
- LogP: 0.4