Geosmin

Synonyms: (-)-geosmin, "Octahydro-4alpha,8abeta-dimethyl-4aalpha(2H)-naphthol", "trans-1,10-dimethyl-trans-decalol", "(4S-(4alpha,4aalpha,8abeta))-Octahydro-4,8a-dimethyl-4a(2H)-naphthol", "(4S,4aS,8aR)-4,8a-dimethyloctahydronaphthalen-4a(2H)-ol", "(4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol", "trans-1,10-Dimethyl-trans-9-decalol"

Source: Geosmin is a metabolite produced by several classes of microbes, including cyanobacteria and actinomyces, and confers an unpleasant earthy/musty taste and odor to drinking water

Identifiers:

IUPAC Name: (4S,4aS,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
CAS Number: 19700-21-1
PubChem ID: 29746
InChiKey: JLPUXFOGCDVKGO-TUAOUCFPSA-N
Canonical SMILES: CC1CCCC2(C1(CCCC2)O)C

Structural Properties:

Molecular Formula: C₁₂H₂₂O
Molecular Weight: 182,300

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 13

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2D structure (.sdf)
3D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Pal, A., He, Y., Jekel, M., Reinhard, M., & Gin, K. Y. H. (2014). Emerging contaminants of public health significance as water quality indicator compounds in the urban water cycle. Environment international, 71, 46-62.

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2D-structure

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