11-hydroxy-THC

Synonyms: "11-Hydroxy-delta(9)-thc", "7-Hydroxy-delta(1)-tetrahydrocannabinol", "6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-pentyl-6H-dibenzo(b,d)pyran-9-methanol"

Source: 11-hydroxy-THC is the main active metabolite of tetrahydrocannabinol (THC), the chemical responsible for most of marijuana's psychological effects.

Identifiers:

IUPAC Name: 9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CAS Number: 26108-40-7
PubChem ID: 37482
InChiKey: YCBKSSAWEUDACY-UHFFFAOYSA-N
Canonical SMILES: CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)CO)O

Structural Properties:

Molecular Formula: C₂₁H₃₀O₃
Molecular Weight: 330.5

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 24

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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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