Molecule ID: 101614935

IUPAC Name: (1E,3R,4S,5E)-1-[3-hydroxy-2-(hydroxymethyl)phenyl]hepta-1,5-diene-3,4-diol

Description: The molecule is a member of the class of benzyl alcohols resulting from the formal reduction of the aldehyde group of pyriculol. Produced by the rice blast fungus Magnaporthe oryzae. It has a role as a fungal metabolite. It is a heptaketide, a tetrol, a secondary allylic alcohol, a homoallylic alcohol, a member of benzyl alcohols and a member of phenols. It derives from a pyriculol.

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

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

InChI: InChI=1S/C14H18O4/c1-2-4-13(17)14(18)8-7-10-5-3-6-12(16)11(10)9-15/h2-8,13-18H,9H2,1H3/b4-2+,8-7+/t13-,14+/m0/s1

Molecular Properties:
- Polar Surface Area: 80.9 Ų
- LogP: 1.3