Molecule ID: 24892784

IUPAC Name: methyl (2E,6E,10S)-11-hydroxy-3,7,11-trimethyl-10-phosphonooxydodeca-2,6-dienoate

Description: The molecule is a sesquiterpenoid, a methyl ester, a tertiary alcohol, an enoate ester and a phosphate monoester.

SMILES: COC(=O)/C=C(\C)CC/C=C(\C)CC[C@H](OP(=O)(O)O)C(C)(C)O

SELFIES: [C][O][C][=Branch1][C][=O][/C][=C][Branch1][C][\C][C][C][/C][=C][Branch1][C][\C][C][C][C@H1][Branch1][#Branch2][O][P][=Branch1][C][=O][Branch1][C][O][O][C][Branch1][C][C][Branch1][C][C][O]

InChI: InChI=1S/C16H29O7P/c1-12(7-6-8-13(2)11-15(17)22-5)9-10-14(16(3,4)18)23-24(19,20)21/h7,11,14,18H,6,8-10H2,1-5H3,(H2,19,20,21)/b12-7+,13-11+/t14-/m0/s1

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 1.9