Cannabinol

Synonyms: cannabinol, "3-Amyl-1-hydroxy-6,6,9-trimethyl-6H-dibenzo(b,d)pyran", "6,6,9-Trimethyl-3-pentyl-6H-dibenzo(b,d)pyran-1-ol", "6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol", "6,6,9-Trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-1-ol"

Source: Cannabinol is a mildly psychoactive substance found in cannabis.

Identifiers:

IUPAC Name: 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol
CAS Number: 521-35-7
PubChem ID: 2543
InChiKey: VBGLYOIFKLUMQG-UHFFFAOYSA-N
Canonical SMILES: CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O

Structural Properties:

Molecular Formula: C₂₁H₂₆O₂
Molecular Weight: 310,400

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 23

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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