Compound: cannabidiol
SMILES: Oc1c(c(O)cc(c1)CCCCC)[C@@H]2C=C(CC[C@H]2C(=C)C)C
InChIKey: QHMBSVQNZZTUGM-ZWKOTPCHSA-N
Synonyms: cannabidiol, 13956-29-1, (-)-Cannabidiol, (-)-trans-Cannabidiol, Epidiolex, GWP42003-P, delta1(2)-trans-Cannabidiol, CARDIOLRX, cannabidiolum, (-)-trans-2-p-Mentha-1,8-dien-3-yl-5-pentylresorcinol, 19GBJ60SN5, CHEBI:69478, DTXSID00871959, BTX-1204, BTX-1503, GWP42003, GWP-42003-P, GWP-42003, (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydrobiphenyl-2,6-diol, 1,3-Benzenediol, 2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1R-trans)-, 1,3-benzenediol, 2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, 2-((1R,6R)-3-METHYL-6-(PROP-1-EN-2-YL)CYCLOHEX-2-EN-1-YL)-5-PENTYLBENZENE-1,3-DIOL, 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-, NanoCDB, 2-((1R,6R)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentylbenzene-1,3-diol, 2-[(1R,6R)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol, Melody Cloverstrip, 1,3-BENZENEDIOL, 2-((1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL)-5-PENTYL-, CBD Oil, Cannabidiol Hemp Oil, RefChem:6403, leafPro CBDmed Oil FS QP 3%, leafPro CBDmed Oil FS QP 5%, N03AX24, leafPro CBDmed Oil FS QP 20%, DTXCID401436151, leafPro CBDmed Oil T-FS QD 3%, leafPro CBDmed Oil T-FS QD 5%, leafPro CBDmed Oil T-FS QD 20%, leafPro CBDmed Softgels FS QP 20, leafPro CBDmed Softgels T-FS QD 20, CBD, (-)-CBD, 3556-78-3, Cannabidiol [USAN], (+/-)-Cannabidiol, 2-[(1R,6R)-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol, 2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol, CHEMBL190461, Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)-, Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (+-)-, 1,3-Benzenediol, 2-(4-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, trans-, 2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol, 2-(4-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol trans-, (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro[1,1'-biphenyl]-2,6-diol, (-)-Cannabidiol (CBD), .delta.1(2)-trans-Cannabidiol, UNII-19GBJ60SN5, Epidyolex, MediCabilis, Cannabidiol CRS, Canapure PH, Epidiolex (TN), P0T, Cannabidiol (7CI), (A+/-)-Cannabidiol, CANNABIDIOL [MI], CANNABIDIOL [INN], Cannabidiol, (+/-)-, D1(2)-trans-Cannabidiol, Cannabidiol [EP monograph], 2-[1R-3-methyl-6R-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol, CANNABIDIOL [MART.], QJ36T2J3TS, Cannabidiol for cannabis CRS, Epitope ID:2278482, CANNABIDIOL [USP-RS], CANNABIDIOL [WHO-DD], Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, trans-(-)-, (-)-Cannabidiol (Synthetic), SCHEMBL119679, Cannabidiol (JAN/USAN/INN), GTPL4150, orb2299258, ZYN002, 2-(6-Isopropenyl-3-methyl-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol #, 2-(6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol, Delta(1(2))-trans-cannabidiol, Cannabidiol, 1mg/ml in Methanol, MeSH ID: D002185, 16 - Cannabidiol in supplements, CANNABIDIOL [ORANGE BOOK], DTXSID301038839, GWP 42003P, 849 - Cannabidiol (CBD) in food, BDBM50121429, BDBM50318484, HB2785, AKOS032948358, Cannabidiol for system suitability CRS, DB09061, FC19666, NCGC00386518-01, (-)-Cannabidiol 1.0 mg/ml in Methanol, AC-34022, FS-10329, DB-093531, Sativex (CBD + THC, fixed-dose oral spray), C07578, D10915, nabiximols (CBD + THC, fixed-dose oral spray), Q422917, (-)-Cannabidiol (CBD) 100 microg/mL in Methanol, (-)-Cannabidiol (CBD) 1000 microg/mL in Methanol, (-)-Cannabidiol (CBD) 250 microg/mL in Acetonitrile, (3R,4R)-2-p-mentha-1,8-dien-3-yl-5-pentylresorcinol, Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (+/-)-, Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, trans-(-)- (8CI), 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, trans-, 2-((1R,6R)-3-METHYL-6-(1-METHYLETHENYL)CYCLOHEX-2-ENYL)-5-PENTYLBENZENE-1,3-DIOL, 2-(3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol, 2-(6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol (Cannabidiol), 2-[(1R,6R)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-benzene-1,3-diol, 2-[3-Methyl-6-(methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol, CBD; 2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol, rel-2-[(1R,6R)-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol, (1'R,2'R)-5'-methyl-4-pentyl-2'-(prop-1-en-2-yl)-1',2',3',4'-tetrahydro-[1,1'-biphenyl]-2,6-diol, 1,3-Benzenediol, 2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, rel-, 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, trans-(+/-)-
Theoretical properties:
molecular_formula: C21H30O2
molecular_weight: 314.5 g/mol
exact_mass: 314.224580195 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 6
heavy_atom_count: 23
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
{"pubchem": "Cannabidiol is 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. It has a role as an antimicrobial agent and a plant metabolite. It is a member of resorcinols, a phytocannabinoid and an olefinic compound.", "chebi": "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.", "chembl": "CANNABIDIOL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.", "wikipedia": "Cannabidiol (CBD) is a phytocannabinoid, one of 113 identified cannabinoids in Cannabis, along with tetrahydrocannabinol (THC), and accounts for up to 40% of the plant's extract. Medically, it is an anticonvulsant used to treat two rare forms of childhood epilepsy. It was discovered in 1940. Clinical research on CBD has included studies related to the treatment of anxiety, addiction, psychosis, movement disorders, and pain, but there is insufficient high-quality evidence that CBD is effective for these conditions. CBD is sold as a herbal dietary supplement and promoted with unproven claims of particular therapeutic effects.\nCannabidiol can be taken internally in multiple ways, including by inhaling cannabis smoke or vapor, swallowing it by mouth, and through use of an aerosol spray inside the cheek. It may be supplied as CBD oil containing only CBD as the active ingredient (excluding THC or terpenes), CBD-dominant hemp extract oil, capsules, dried cannabis, or prescription liquid solution. CBD does not have the same psychoactivity as THC, and can modulate the psychoactive effects of THC on the body if both are present. Conversion of CBD to THC can occur when CBD is heated to temperatures between 250\u2013300 \u00b0C, potentially leading to its partial transformation into THC.\nIn the United States, the cannabidiol drug Epidiolex was approved by the Food and Drug Administration (FDA) in 2018, for the treatment of two seizure disorders. While the 2018 United States farm bill removed hemp and hemp extracts (including CBD) from the Controlled Substances Act, the marketing and sale of CBD formulations for medical use or as an ingredient in dietary supplements or manufactured foods remains illegal under FDA regulation, as of 2024.\n\n"}