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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3D structure (.sdf)
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3D structure (.pdbqt)

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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.

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