SMILES:
CC(=O)C1(C)C(C)C2C(=CC1)CCCC2(C)C

Aroma Description:
ambergris, cedar, dry, ketonic, old_wood, phenolic, woody¹

Notes:
Pure iso-E-super is almost odorless. Arborone, a by-product that occurs as an impurity, gives iso-E-super its smell, especially the (+)-(1R,2R,8aS) enantiomer.^{2, 3, 4}

 

SMILES:
CC(=O)C1(C)C(C)C2C(=CC1)CCCC2(C)C

Aroma Description:
ambergris, cedar, dry, ketonic, old_wood, phenolic, woody

Dock Score: This is a measure of whether the algorithm thinks the odorant is an agonist of the receptor.
Affinity: The binding affinity, in kJ/mol, of the ligand docked in the active or inactive model, whichever is greater.
LSP: Ligand Surface Polarity, i.e. how much of the ligand's surface is hydrophilic.
LSRB: Ligand Surface Receptor Binding, i.e. how much of the ligand's surface interacts with receptor atoms.