traseolide

Synonyms: "1-[2,3-Dihydro-1,1,2,6-tetramethyl-3-(1-methylethyl)-1H-inden-5-yl]ethan-1-one", "5-acetyl-1,1,2,6-tetramethyl-3-isopropylindane".

Source: traseolide is widely used as a fragrance in personal care products, perfumes and cleaning agents.

Identifiers:

IUPAC Name: 1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone
CAS Number: 68140-48-7
PubChem ID: 91696
InChiKey: IMRYETFJNLKUHK-UHFFFAOYSA-N
Canonical SMILES: CC1C(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)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

Mori T, Iida M, Ishibashi H, Kohra S, Takao Y, Takemasa T, Arizono K. 2007. Hormonal activity of polycyclic musks evaluated by reporter gene assay. Environ Sci 14(4):195-202. URL: http://naosite.lb.nagasaki-u.ac.jp/dspace/handle/10069/20086.