Molecule ID: 50993829

IUPAC Name: 4-[(2S,3R,4R)-4-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol

Description: The molecule is a lignan that consists of tetrahydrofuran substituted by a 3,4-dihydroxyphenyl group at position 2, a hydroxymethyl group at position 3 and a hydroxy(4-hydroxy-3-methoxyphenyl)methyl group at position 4. It has been isolated from Taxus yunnanensis. It has a role as a plant metabolite. It is a lignan, a polyphenol, a member of oxolanes and a member of guaiacols.

SMILES: COc1cc([C@H](O)[C@H]2CO[C@H](c3ccc(O)c(O)c3)[C@H]2CO)ccc1O

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

InChI: InChI=1S/C19H22O7/c1-25-17-7-10(2-5-15(17)22)18(24)13-9-26-19(12(13)8-20)11-3-4-14(21)16(23)6-11/h2-7,12-13,18-24H,8-9H2,1H3/t12-,13-,18-,19+/m0/s1

Molecular Properties:
- Polar Surface Area: 120.0 Ų
- LogP: 1.0