loading...| Preferred Name |
Delta(9)-tetrahydrocannabinol |
|
| Synonyms |
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol Delta(9)-tetrahydrocannabinol Tetrahydrocannabinol Delta(9)-THC delta9-Tetrahydrocannabinol (-)-delta9-trans-Tetrahydrocannabinol 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol Dronabinolum Syndros 3-Pentyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-dibenzo(b,d)pyran-1-ol Delta(1)-tetrahydrocannabinol dronabinol Dronabinol 1-trans-delta-9-Tetrahydrocannabinol |
|
| Definitions |
A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_66964 |
|
| charge |
0 |
|
| database_cross_reference |
MetaCyc:CPD-7172 PMID:21590520 PMID:22807156 Reaxys:4354308 Wikipedia:Tetrahydrocannabinol CAS:1972-08-3 KNApSAcK:C00002675 DrugBank:DB00470 KEGG:D00306 PMID:22722508 PDBeChem:TCI PMID:15190053 Drug_Central:4109 HMDB:HMDB0041865 PMID:21803011 PMID:21671456 PMID:22680341 PMID:22288893 PMID:22491047 PMID:22305029 PMID:16511162 KEGG:C06972 PMID:22553980 PMID:22260337 PMID:21310551 |
|
| definition |
A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy. |
|
| formula |
C21H30O2 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35499 http://purl.obolibrary.org/obo/CHEBI_67072 http://purl.obolibrary.org/obo/CHEBI_25212 |
|
| has_alternative_id |
CHEBI:4716 |
|
| has_exact_synonym |
(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol Delta(9)-tetrahydrocannabinol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Tetrahydrocannabinol Delta(9)-THC delta9-Tetrahydrocannabinol (-)-delta9-trans-Tetrahydrocannabinol 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol Dronabinolum Syndros 3-Pentyl-6,6,9-trimethyl-6a,7,8,10a-tetrahydro-6H-dibenzo(b,d)pyran-1-ol Delta(1)-tetrahydrocannabinol dronabinol Dronabinol 1-trans-delta-9-Tetrahydrocannabinol |
|
| id |
CHEBI:66964 |
|
| in_subset | ||
| inchi |
InChI=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-/m1/s1 |
|
| inchikey |
CYQFCXCEBYINGO-IAGOWNOFSA-N |
|
| label |
Delta(9)-tetrahydrocannabinol |
|
| mass |
314.46170 |
|
| monoisotopicmass |
314.22458 |
|
| notation |
CHEBI:66964 |
|
| prefLabel |
Delta(9)-tetrahydrocannabinol |
|
| smiles |
[H][C@@]12CCC(C)=C[C@@]1([H])c1c(O)cc(CCCCC)cc1OC2(C)C |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_38920 http://purl.obolibrary.org/obo/CHEBI_23849 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38920 http://purl.obolibrary.org/obo/CHEBI_23849 |