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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | cannabidiol | |
| Synonyms |
(-)-cannabidiol (-)-trans-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinol (-)-trans-cannabidiol Delta(1(2))-trans-cannabidiol cannabidiolum cannabidiol (-)-CBD (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol |
|
| Definitions |
An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_69478 |
|
| alternative term |
(-)-cannabidiol (-)-trans-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinol (-)-trans-cannabidiol Delta(1(2))-trans-cannabidiol cannabidiolum cannabidiol (-)-CBD (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol
|
|
| bearer of | ||
| charge |
0
|
|
| database_cross_reference |
PMID:31566564 PMID:26976797 PMID:25703248 Wikipedia:Cannabidiol PMID:26845349 PMID:27344041 KNApSAcK:C00002641 PMID:27285147 PMID:27430346 LIPID_MAPS_instance:LMPK13120001 DrugBank:DB09061 Patent:US2304669 CAS:13956-29-1 PMID:27067870 MetaCyc:CPD-7173 PMID:27471947 PMID:27267317 Reaxys:2222023 PDBeChem:P0T KEGG:C07578 PMID:27157263 PMID:27374322 PMID:27215129 Drug_Central:5288 PMID:27506704
|
|
| definition |
An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4.
|
|
| formula |
C21H30O2
|
|
| has_alternative_id |
CHEBI:3358
|
|
| has_exact_synonym |
(1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
(-)-cannabidiol (-)-trans-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinol (-)-trans-cannabidiol Delta(1(2))-trans-cannabidiol cannabidiolum cannabidiol (-)-CBD
|
|
| id |
CHEBI:69478
|
|
| in_subset | ||
| inchi |
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
|
|
| inchikey |
QHMBSVQNZZTUGM-ZWKOTPCHSA-N
|
|
| label |
cannabidiol
|
|
| mass |
314.469
|
|
| monoisotopicmass |
314.22458
|
|
| notation |
CHEBI:69478
|
|
| prefLabel |
cannabidiol
|
|
| RO_0000087 | ||
| smiles |
[H][C@]1(CCC(C)=C[C@H]1C1=C(O)C=C(CCCCC)C=C1O)C(C)=C
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_78840 |
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