Molecule ID: 146014779

IUPAC Name: (2Z,6Z,10Z)-12-hydroxy-6-(hydroxymethyl)-10-methyl-2-(3-methylbut-3-enyl)dodeca-2,6,10-trienoic acid

Description: The molecule is a diterpenoid isolated from the leaves of Smallanthus sonchifolius. It has a role as a plant metabolite. It is a diterpenoid, a dihydroxy monocarboxylic acid, an olefinic compound and a primary allylic alcohol.

SMILES: C=C(C)CC/C(=C/CC/C(=C/CC/C(C)=C\CO)CO)C(=O)O

SELFIES: [C][=C][Branch1][C][C][C][C][/C][=Branch2][Ring1][Ring1][=C][/C][C][/C][=Branch1][O][=C][/C][C][/C][Branch1][C][C][=C][\C][O][C][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C19H30O4/c1-15(2)10-11-18(19(22)23)9-5-8-17(14-21)7-4-6-16(3)12-13-20/h7,9,12,20-21H,1,4-6,8,10-11,13-14H2,2-3H3,(H,22,23)/b16-12-,17-7-,18-9-

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 3.8