| Entry |
|
|---|
| Name |
Dronabinol;
Delta9-Tetrahydrocannabinol;
Tetrahydrocannabinol;
THC
|
|---|
| Formula |
C21H30O2
|
|---|
| Exact mass |
314.2246
|
|---|
| Mol weight |
314.46
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map00999 | Biosynthesis of various plant secondary metabolites |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00894 | Cannabidiol biosynthesis, malonyl-CoA => cannabidiol/dronabinol |
|
|---|
| Brite |
Lipids [BR:br08002]
PK Polyketides
PK13 Aromatic polyketides
PK1312 Other aromatic polyketides
C06972 Tetrahydrocannabinol
Phytochemical compounds [BR:br08003]
Polyketides
Others
Cannabinoids
C06972 Tetrahydrocannabinol
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C06972
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A04 ANTIEMETICS AND ANTINAUSEANTS
A04A ANTIEMETICS AND ANTINAUSEANTS
A04AD Other antiemetics
A04AD10 Dronabinol
D00306 Dronabinol (USP/INN) <US>
USP drug classification [BR:br08302]
Antiemetics
Emetogenic Therapy Adjuncts
Dronabinol
D00306 Dronabinol (USP/INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01762 Antiemetic
D00306 Dronabinol
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cannabinoid
CNR
D00306 Dronabinol (USP/INN) <US>
Pharmacogenomic biomarkers [br08341.html]
Polymorphisms and mutations affecting drug response
D00306
Narcotics and psychotropics in Japan [br08308.html]
Narcotics by Control Act Article 2 Table 1 (76 substances)
D00306
Opium and Cannabis
D00306
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 23
1 C1y C 18.4115 -16.8533
2 C8y C 19.5887 -17.5353
3 C1y C 17.2226 -17.5353
4 C2x C 18.4172 -15.4895
5 C8y C 19.5887 -18.9108
6 C8y C 20.7777 -16.8533
7 C1z C 17.2226 -18.9108
8 C1x C 16.0393 -16.8476
9 C2y C 17.2284 -14.8018
10 O2x O 18.4115 -19.5926
11 C8x C 20.7777 -19.5926
12 C8x C 21.9551 -17.5353
13 O1a O 20.7777 -15.4838
14 C1a C 17.2400 -20.5833
15 C1a C 15.6548 -19.6218
16 C1x C 16.0393 -15.4838
17 C1a C 17.2341 -13.4381
18 C8y C 21.9551 -18.9108
19 C1b C 23.1382 -19.5926
20 C1b C 24.3271 -18.9048
21 C1b C 25.5043 -19.5868
22 C1b C 26.6933 -18.9048
23 C1a C 27.8705 -19.5868
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1
11 6 12 2
12 6 13 1
13 7 14 1
14 7 15 1
15 8 16 1
16 9 17 1
17 11 18 2
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 7 10 1
24 9 16 1
25 12 18 1
|
|---|
