(+)-Δ9-Tetrahydrocannabinol (CED0002612)

Record Information
Version1.0
Creation Date2026-04-05 16:30:34 UTC
Update Date2026-05-20 19:14:40 UTC
SynCED IDCED0002612
Secondary Accession Numbers
  • CHEM104576
Identification
Common Name(+)-Δ9-Tetrahydrocannabinol
ClassSmall Molecule
Description
(+)-Δ9-Tetrahydrocannabinol is an organoheterocyclic compound with the formula C21H30O2 and an average molecular weight of 314.47 g/mol. (+)-Δ9-Tetrahydrocannabinol belongs to the 1-benzopyrans, a subclass of benzopyrans within the organic compounds. This compound is found in or released from one recorded source: indoor air via air, dust, and atmospheric transport. The recorded exposure route for this substance is inhalation.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H30O2
Average Molecular Mass314.469 g/mol
Monoisotopic Mass314.225 g/mol
CAS Registry Number17766-02-8
IUPAC NameNot Available
Traditional NameNot Available
SMILES[H][C@]12C=C(C)CC[C@]1([H])C(C)(C)OC1=CC(CCCCC)=CC(O)=C21
InChI IdentifierInChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m0/s1
InChI KeyCYQFCXCEBYINGO-IRXDYDNUSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity ValuesNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000019Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.Air, dust & atmospheric transportNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.728
Applicability Domain
1.0
Statistical Significance
5.00e-05
Supporting Reference Compounds
175
E-value
0.389246
Cannabinoid receptor 1 structureClick to view 3D structureCannabinoid receptor 1P21554HumansPredicted (SEA)
Prediction Confidence Score
0.707
Applicability Domain
1.0
Statistical Significance
1.10e-04
Supporting Reference Compounds
200
E-value
0.856341
Transient receptor potential cation channel subfamily M member 8 structureClick to view 3D structureTransient receptor potential cation channel subfamily M member 8Q7Z2W7HumansPredicted (SEA)
Prediction Confidence Score
0.707
Applicability Domain
1.0
Statistical Significance
1.00e-05
Supporting Reference Compounds
43
E-value
0.0778492
G-protein coupled receptor 55 structureClick to view 3D structureG-protein coupled receptor 55Q9Y2T6HumansPredicted (SEA)
Prediction Confidence Score
0.637
Applicability Domain
1.0
Statistical Significance
1.00e-04
Supporting Reference Compounds
125
E-value
0.778492
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.598
Applicability Domain
1.0
Statistical Significance
3.20e-04
Supporting Reference Compounds
83
E-value
2.49118
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.593
Applicability Domain
1.0
Statistical Significance
5.00e-05
Supporting Reference Compounds
42
E-value
0.389246
Transient receptor potential cation channel subfamily V member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 1Q8NER1HumansPredicted (SEA)
Prediction Confidence Score
0.578
Applicability Domain
0.857
Statistical Significance
1.60e-04
Supporting Reference Compounds
104
E-value
1.24559
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.577
Applicability Domain
1.0
Statistical Significance
3.00e-05
Supporting Reference Compounds
56
E-value
0.233548
Gamma-aminobutyric acid receptor subunit beta-2 structureClick to view 3D structureGamma-aminobutyric acid receptor subunit beta-2P47870HumansPredicted (SEA)
Prediction Confidence Score
0.571
Applicability Domain
0.571
Statistical Significance
1.00e-04
Supporting Reference Compounds
1
E-value
0.778492
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)
Prediction Confidence Score
0.556
Applicability Domain
1.0
Statistical Significance
2.00e-04
Supporting Reference Compounds
39
E-value
1.55698
Transient receptor potential cation channel subfamily V member 5 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 5Q9NQA5HumansPredicted (SEA)
Prediction Confidence Score
0.489
Applicability Domain
0.857
Statistical Significance
1.00e-05
Supporting Reference Compounds
2
E-value
0.0778492
Transient receptor potential cation channel subfamily V member 4 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 4Q9HBA0HumansPredicted (SEA)
Prediction Confidence Score
0.487
Applicability Domain
0.857
Statistical Significance
2.10e-04
Supporting Reference Compounds
32
E-value
1.63483
Transient receptor potential cation channel subfamily V member 3 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 3Q8NET8HumansPredicted (SEA)
Prediction Confidence Score
0.487
Applicability Domain
0.857
Statistical Significance
1.00e-05
Supporting Reference Compounds
15
E-value
0.0778492
Transient receptor potential cation channel subfamily A member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily A member 1O75762HumansPredicted (SEA)
Prediction Confidence Score
0.487
Applicability Domain
0.857
Statistical Significance
2.00e-05
Supporting Reference Compounds
70
E-value
0.155698
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)
Prediction Confidence Score
0.486
Applicability Domain
0.571
Statistical Significance
0.011
Supporting Reference Compounds
527
E-value
86.0234
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9Y5S1HumansPredicted (SEA)
Prediction Confidence Score
0.463
Applicability Domain
0.857
Statistical Significance
1.00e-05
Supporting Reference Compounds
6
E-value
0.0778492
Click to view 3D structureTransient receptor potential cation channel subfamily M member 8Q8R455Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.46
Applicability Domain
0.571
Statistical Significance
6.00e-05
Supporting Reference Compounds
23
E-value
0.467095
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.452
Applicability Domain
0.571
Statistical Significance
5.30e-04
Supporting Reference Compounds
21
E-value
4.12601
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.446
Applicability Domain
0.571
Statistical Significance
0.0134
Supporting Reference Compounds
1103
E-value
104.629
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.443
Applicability Domain
0.492
Statistical Significance
0.0047
Supporting Reference Compounds
686
E-value
36.7448
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.44
Applicability Domain
0.857
Statistical Significance
0.0116
Supporting Reference Compounds
953
E-value
90.3829
Click to view 3D structureTransient receptor potential cation channel subfamily V member 4Q9ERZ8Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.432
Applicability Domain
0.571
Statistical Significance
1.30e-04
Supporting Reference Compounds
18
E-value
1.01204
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.42
Applicability Domain
1.0
Statistical Significance
0.0125
Supporting Reference Compounds
861
E-value
97.2337
Click to view 3D structureHeat sensitive channel TRPV3Q4QYD9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.405
Applicability Domain
0.571
Statistical Significance
1.20e-04
Supporting Reference Compounds
3
E-value
0.934191
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.394
Applicability Domain
0.466
Statistical Significance
0.0058
Supporting Reference Compounds
451
E-value
45.0747
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available