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 (pictured), a by-product that occurs as an impurity, gives commercial iso-E-super its aroma, 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
| Receptor | Expr.% | Agonist? | Dock Score | Known agonist | Correlated Perceptual Qualities |
|---|
Dock Score is a measure of how strongly the algorithm thinks the odorant is likely to be an agonist of the receptor.
Receptors in italics are "orphans", i.e. receptors whose agonists have not been identified experimentally.
1.) The Good Scents Company
2.) Leffingwell
3.) https://www.fragrantica.com/notes/Iso-E-Super-422.html
4.) https://img.perfumerflavorist.com/files/base/allured/all/document/2016/02/pf.PF_26_02_016_05.pdf
5.) Keiichi Yoshikawa, Jun Deguchi, Hu Jieying et al. Diverse yet selective tuning of an odorant receptor for sensing four classes of musk compounds, 03 August 2022, PREPRINT (Version 1) available at Research Square [https://doi.org/10.21203/rs.3.rs-1916850/v1]
6.) Antagonistic interactions between odorants alter human odor perception Yosuke Fukutani, Masashi Abe, Haruka Saito, Ryo Eguchi, Toshiaki Tazawa, Claire A. de March, Masafumi Yohda, Hiroaki Matsunami bioRxiv 2022.08.02.502184; doi: https://doi.org/10.1101/2022.08.02.502184
7.) Dan Takase, Tomohiro Shirai, Kensuke Misawa, Hiroaki Matsunami, Keiichi Yoshikawa, An odorant receptor for a key odor constituent of ambergris. Communications Biology | (2025)8:792. doi: 10.1038/s42003-025-08229-y