Capsaicin

Synonyms: Capsaicin, "Zostrix", "(E)-Capsaicin", "Qutenza", "Styptysat", "Axsain", "Isodecenoic acid vanillylamide","trans-8-Methyl-N-vanillyl-6-nonenamide","Capsaicin [USAN]", "Transacin", "Vanilloid", "(E)-8-Methyl-N-vanillyl-6-nonenamide", "trans-Capsaicin", "8-Methyl-N-vanillyl-trans-6-nonenamide", "8-Methyl-N-Vanillyl-6-Nonenamide"

Source: Capsaicin is a chili pepper extract with analgesic properties.

Identifiers:

IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
CAS Number: 404-86-4
PubChem ID: 1548943
InChiKey: YKPUWZUDDOIDPM-SOFGYWHQSA-N
Canonical SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

Structural Properties:

Molecular Formula: C₁₈H₂₇NO₃
Molecular Weight: 305,400

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 22

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

Syakti, A. D., Ahmed, M. M., Hidayati, N. V., Hilmi, E., Sulystyo, I., Piram, A., & Doumenq, P. (2013). Screening of emerging pollutants in the mangrove of Segara Anakan Nature Reserve, Indonesia. IERI Procedia, 5, 216-222.

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2D-structure

3D-structure