Cannabidiol

Synonyms: cannabidiol, "(-)-Cannabidiol", "(-)-trans-Cannabidiol", "CBD", "Epidiolex", "UNII-19GBJ60SN5", "(-)-trans-2-p-Mentha-1,8-dien-3-yl-5-pentylresorcinol", "delta1(2)-trans-Cannabidiol", "(-)-CBD", "2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol", "2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol"

Source: Cannabidiol is a component of herbal cannabis, studied for a number of potential pharmaceutical indications.

Identifiers:

IUPAC Name: 2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CAS Number: 13956-29-1
PubChem ID: 644019
InChiKey: QHMBSVQNZZTUGM-ZWKOTPCHSA-N
Canonical SMILES: CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O

Structural Properties:

Molecular Formula: C₂₁H₃₀O₂
Molecular Weight: 314,500

Pharmacophore Features:

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

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3D structure (.sdf)
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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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2D-structure

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