Cannabigerol
Grundinformationen
- CAS
25654-31-3- Standard-SMILES
CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1- InChIKey
QXACEHWTBCFNSA-SFQUDFHCSA-N- Summenformel
- C21H32O2
- Durchschnittliche Molmasse
- 316,5 g/mol
- Monoisotopische Masse
- 316,24023026
Überblick
Cannabigerol is a member of the class of resorcinols that is resorcinol which is substituted by a (2E)-3,7-dimethylocta-2,6-dien-1-yl group at position 2 and by a pentyl group at position 5. It is a natural product found in Cannabis sativa and Helichrysum species. It has a role as an antioxidant, an antibacterial agent, an appetite enhancer, a neuroprotective agent, a cannabinoid receptor agonist, an anti-inflammatory agent and a plant metabolite. It is a member of resorcinols and a phytocannabinoid.
Namen und Bezeichner
- Bevorzugter Name
- Cannabigerol
- IUPAC
- 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol
- Englischer Name
- cannabigerol
- Summenformel
- C21H32O2
- Molmasse
- 316.48
Namen und Synonyme
Cannabigerol25654-31-32-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diolJ1K406072NCHEBI:69477DTXSID7010141682-((2E)-3,7-Dimethylocta-2,6-dienyl)-5-pentylbenzene-1,3-diolRefChem:123226DTXCID001436709846-444-6875-470-0Cannabigerol (CBG)
Weitere Namen anzeigen
AnaerobicallyCannabigerol(CBG)Cannabigerol (CRM)Cannabigerol (7CI)Cannabigerol solutionCannabigerol, 10 mM in DMSOCannabigerol (Alt. Batch CRM)Cannabigerol (exempt preparation)Cannabigerol (CBG), 1mg/ml in Ethanol
CBGCHEMBL4973182808-33-52-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-pentylbenzene-1,3-diol(E)-2-(3,7-dimethylocta-2,6-dien-1-yl)-5-pentylbenzene-1,3-diol1,3-Benzenediol, 2-(3,7-dimethyl-2,6-octadienyl)-5-pentyl-, (E)-2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-pentyl-1,3-benzenediol2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentyl-benzene-1,3-diol
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,4
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 367
Experimentelle und physikochemische Eigenschaften
Chemical ClassesStimulant
Drugs
DEA NFLIS-Drug Category -> Cannabinoids
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Lipids
Polyketides [PK]
Polyketides [PK] -> Aromatic polyketides [PK13] -> Other aromatic polyketides [PK1312]
Physikochemische Eigenschaften
- Schmelzpunkt
- 49 · 49-50 °C
- Siedepunkt
- 470.4 · 470.4±40.0 °C(Predicted)
- Dichte
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- Flammpunkt
- 9 ℃ · 9℃
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 100 mM · Soluble to 100 mM in ethanol and to 100 mM in DMSO
- Aggregatzustand
- White to off-white powder.
- pka
- 9.71 · 9.71±0.40(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Gefahrenhinweise
Hazard Classes and Categories
Acute Tox. 4 (100%)
Not Classified
Sicherheitsdaten
- wgk
- 1
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- hs_code
- 9999999999
Chemie und Industrie
Anwendungen
BeschreibungCannabigerol (CRM) (Item No. 20164) is a certified reference material categorized as a phytocannabinoid. This product is intended for research and forensic applications.
VerwendenCannabigerol is a partial agonist of CB2 and CB1 receptors (Ki values are 337 and 440 nM respectively). Cannabigerol also exhibits α2-adrenoceptor agonist activity (EC50 = 0.2 nM in mouse brain membra nes).
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Ergänzende Hinweise
DefinitionChEBI: A natural product found in Cannabis sativa and Helichrysum species.
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