Nicotine


Nicotine
DEDuCT identifierDED000655
Pubchem identifier89594
CAS identifier54-11-5
IUPAC nameNicotine
Category based on type of supporting evidenceCategory II
Broad category based on environmental sourceMedicine and Healthcare, Pollutant, Consumer Products, Industry, Agriculture and Farming, Natural Sources
Sub-category based on environmental sourceAntimicrobial, Drugs and Pharmaceuticals, Environmental Pollutant, Food additives, Industrial Additive, Insecticide, Pesticide, Plant, Poultry Feed, Tobacco Products
Chemical kingdomOrganic compounds
Chemical super-classOrganoheterocyclic compounds
Chemical classPyridines and derivatives
SMILESCN1CCCC1C2=CN=CC=C2
InChIInChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
InChIKeySNICXCGAKADSCV-JTQLQIEISA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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We have built a comprehensive resource which compiles potential endocrine disrupting chemicals (EDCs) based on the observed adverse effects or endocrine-mediated endpoints in published experiments on humans or rodents to support basic research. We are not responsible for any errors or omissions in the published research articles or supporting literature on potential EDCs compiled in this resource. Users are advised to exercise their own judgement on the weight of evidence for potential EDCs compiled in this resource. Importantly, our sole goal to build this resource on potential EDCs is to enable future basic research towards better understanding of the systems-level perturbations upon chemical exposure rather than influencing regulatory advice on chemical use.