versalide

Synonyms: "versalide", "acetylethyltetramethyltetralin", "1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-ethanone", "7-acetyl-6-ethyl-1,1,4,4-tetramethyltetralin", "6-acetyl-1,1,4,4-tetramethyl-7-ethyl-1,2,3,4-tetralin", "7-acetyl-6-ethyl-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene", "7-acetyl-6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene"

Source: versalide is a synthetic polycyclic musk.

Identifiers:

IUPAC Name: 1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
CAS Number: 88-29-9
PubChem ID: 6930
InChiKey: KSEZPRJUTHMFGZ-UHFFFAOYSA-N
Canonical SMILES: CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C

Structural Properties:

Molecular Formula: C₁₈H₂₆O
Molecular Weight: 258.404

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 19

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Akasaki Y, Takauchi S, Miyoshi K. 1990. Cerebellar degeneration induced by acetyl-ethyl-tetramethyl-tetralin (AETT). Acta Neuropathol 80(2):129-137. DOI: 10.1007/BF00308915. URL: https://link.springer.com/article/10.1007/BF00308915Pennisi SC, Trombetta LD, Bidanset JH. 1984. Cytotoxic changes induced in rat-liver cells by short-term exposure to acetylethyltetramethyltetralin. Food Chem Toxicol 22(12):943-949. DOI: 10.1016/0278-6915(84)90143-1. URL: https://www.sciencedirect.com/science/article/pii/0278691584901431.
Schreurs RH, Sonneveld E, Jansen JH, Seinen W, van der Burg B. 2005. Interaction of polycyclic musks and UV filters with the estrogen receptor (ER), androgen receptor (AR), and progesterone receptor (PR) in reporter gene bioassays. Toxicol Sci 83(2):264-272. DOI: 10.1093/toxsci/kfi035. URL: https://academic.oup.com/toxsci/article/83/2/264/1713967.