| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 23 | Yes |
(-)-.delta.(sup9)-trans-Tetrahydrocannabinol
(-)-.DELTA.1-Tetrahydrocannabinol
(-)-.DELTA.9-Tetrahydrocannabinol
(-)-.DELTA.9-trans-Tetrahydrocannabinol
(-)-3,4-trans-Delta1-Tetrahydrocannabinol
(-)-delta(sup 1)-3,4-trans-Tetrahydrocannabinol
(-)-delta1-Tetrahydrocannabinol
(-)-delta9-(trans)-Tetrahydrocannabinol
(-)-delta9-Tetrahydrocannabinol
(-)-delta9-trans-Tetrahydrocannabinol
(-)-trans-.DELTA.9-Tetrahydrocannabinol
(-)-trans-Delta1-Tetrahydrocannabinol
(-)-trans-delta9-Tetrahydrocannabinol
(L)-.delta.1-Tetrahydrocannabinol
(l)-delta(sup 1)-Tetrahydrocannabinol
(l)-delta1-Tetrahydrocannabinol
.DELTA.9-trans-Tetrahydrocannabinol
1-trans-.delta.(sup9)-tetrahydrocannabinol
1-trans-D9-Tetrahydrocannabinol
1-trans-delta(sup 9)-Tetrahydrocannabinol
1-trans-delta(sup9)-tetrahydrocannabinol
1-trans-delta-9-Tetrahydrocannabinol
1-trans-delta9-Tetrahydrocannabinol
14C-.DELTA.1-Tetrahydrocannabinol
1972-08-3; C06972; Dronabinol; THC; Tetrahydrocannabinol; delta9-Tetrahydrocannabinol
1972-08-3; D00306; Dronabinol (USP/INN); Marinol (TN); Tetrahydrocannabinol
Cannabinol, .DELTA.1-tetrahydro-
Cannabinol, 1-trans-.delta.(sup9)-tetrahydro-
Cannabinol, 1-trans-delta(sup 9)-tetrahydro-
Cannabinol, delta1-tetrahydro-
Cannabinol, Delta1-tetrahydro- (7CI)
CPD-7172; Delta9tetrahydrocannabinol; THC; dronabinol
delta(sup 1)-Tetrahydrocannabinol
delta(sup 9)-Tetrahydrocannabinol
delta1-Tetrahydrocannabinol (VAN)
delta9-Tetrahydrocannabinol (VAN)
Delta9-Tetrahydrocannabinol solution
delta9-trans-Tetrahydrocannabinol
Fats and Glyceridic oils, fish, n-3 fatty acid-high
Fish oils, n-3 fatty acid-high
Fish oils, omega-3 fatty acid-high
L-.delta.1-Tetrahydrocannabinol
L-.delta.1-trans-Tetrahydrocannabinol
L-delta(sup 1)-tetrahydrocannabinol
L-delta1-trans-Tetrahydrocannabinol
L-trans-.delta.9-Tetrahydrocannabinol
L-trans-delta9-Tetrahydrocannabinol
Tetrahydrocannabinols (-)-delta1-3,4-trans-form
trans-.DELTA.9-Tetrahydrocannabinol
trans-delta-9-Tetrahydrocannabinol
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 6.69 | 1.18 | -5.02 | 1 | 2 | 0 | 29 | 314.469 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.63e-03 g/l | DrugBank-Street Drugs |
| UniProt Database Links | CP2BX_CAVPO; TRPA1_HUMAN; TRPA1_MOUSE; TRPA1_RAT | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 41 | 0.45 | Binding ≤ 10μM |
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic | Eukaryotes | 80 | 0.43 | Binding ≤ 10μM |
| CNR2-3-E | Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 6 | 0.50 | Binding ≤ 10μM |
| CNR2-3-E | Cannabinoid CB2 Receptor (cluster #3 Of 3), Eukaryotic | Eukaryotes | 46 | 0.45 | Binding ≤ 10μM |
| CNR1-1-E | Cannabinoid CB1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 11 | 0.48 | Functional ≤ 10μM |
| TRPA1-3-E | Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #3 Of 6), Eukaryotic | Eukaryotes | 230 | 0.40 | Functional ≤ 10μM |
| Z50594-1-O | Mus Musculus (cluster #1 Of 9), Other | Other | 4 | 0.51 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 17 | 0.47 | Binding ≤ 1μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 46 | 0.45 | Binding ≤ 1μM |
| CNR1_MOUSE | P47746 | Cannabinoid CB1 Receptor, Mouse | 40 | 0.45 | Binding ≤ 1μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 32.2 | 0.46 | Binding ≤ 1μM |
| CNR2_RAT | Q9QZN9 | Cannabinoid CB2 Receptor, Rat | 46 | 0.45 | Binding ≤ 1μM |
| CNR2_MOUSE | P47936 | Cannabinoid CB2 Receptor, Mouse | 20 | 0.47 | Binding ≤ 1μM |
| CNR1_MOUSE | P47746 | Cannabinoid CB1 Receptor, Mouse | 40 | 0.45 | Binding ≤ 10μM |
| CNR1_HUMAN | P21554 | Cannabinoid CB1 Receptor, Human | 17 | 0.47 | Binding ≤ 10μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 46 | 0.45 | Binding ≤ 10μM |
| CNR2_RAT | Q9QZN9 | Cannabinoid CB2 Receptor, Rat | 46 | 0.45 | Binding ≤ 10μM |
| CNR2_MOUSE | P47936 | Cannabinoid CB2 Receptor, Mouse | 20 | 0.47 | Binding ≤ 10μM |
| CNR2_HUMAN | P34972 | Cannabinoid CB2 Receptor, Human | 32.2 | 0.46 | Binding ≤ 10μM |
| CNR1_RAT | P20272 | Cannabinoid CB1 Receptor, Rat | 11 | 0.48 | Functional ≤ 10μM |
| Z50594 | Z50594 | Mus Musculus | 4 | 0.51 | Functional ≤ 10μM |
| TRPA1_RAT | Q6RI86 | Transient Receptor Potential Cation Channel Subfamily A Member 1, Rat | 230 | 0.40 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events |
