Molecule ID: 101551464

IUPAC Name: (2S,3R,4E,6E)-7-[3-hydroxy-2-(hydroxymethyl)phenyl]hepta-4,6-diene-2,3-diol

Description: The molecule is a hydroxybenzyl alcohol that is pyriculariol in which the aldehyde goup has been reduced to the corresponding alcohol. It has a role as a fungal metabolite. It is a heptaketide, an aromatic primary alcohol, a hydroxybenzyl alcohol, a secondary allylic alcohol and a homoallylic alcohol.

SMILES: C[C@H](O)[C@H](O)/C=C/C=C/c1cccc(O)c1CO

SELFIES: [C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][/C][=C][/C][=C][/C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][O]

InChI: InChI=1S/C14H18O4/c1-10(16)13(17)7-3-2-5-11-6-4-8-14(18)12(11)9-15/h2-8,10,13,15-18H,9H2,1H3/b5-2+,7-3+/t10-,13+/m0/s1

Molecular Properties:
- Polar Surface Area: 80.9 Ų
- LogP: 1.4