기본 정보
- CAS
25654-31-3- 표준 SMILES
CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1- InChIKey
QXACEHWTBCFNSA-SFQUDFHCSA-N- 분자식
- C21H32O2
- 평균 분자량
- 316.5 g/mol
- 단동위원소 질량
- 316.24023026
개요
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.
이름 및 식별자
- 우선 이름
- Cannabigerol
- IUPAC
- 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol
- 영어명
- cannabigerol
- 분자식
- C21H32O2
- 분자량
- 316.48
이름 및 동의어
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)
이름 더 보기
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
데이터베이스 식별자
- CAS
25654-31-3、2808-33-5
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 367
실험 및 물리화학적 성질
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]
물리화학적 성질
- 녹는점
- 49 · 49-50 °C
- 끓는 점
- 470.4 · 470.4±40.0 °C(Predicted)
- 밀도
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- 인화점
- 9 ℃ · 9℃
- 저장 조건
- -20 °C · -20°C
- 용해도
- 100 mM · Soluble to 100 mM in ethanol and to 100 mM in DMSO
- 물리적 상태
- 백색 내지 회백색 분말.
- 산도 계수 (pKa)
- 9.71 · 9.71±0.40(Predicted)
- 색상
- white to beige
- 화장품 원료 기능
- 피부 컨디셔닝
- InChI
- InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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
유해성 정보
Hazard Classes and Categories
Acute Tox. 4 (100%)
Not Classified
안전 데이터
- wgk
- 1
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- HS 번호
- 9999999999
화학 및 산업
응용 분야
개요Cannabigerol (CRM) (Item No. 20164) is a certified reference material categorized as a phytocannabinoid. This product is intended for research and forensic applications.
용도Cannabigerol 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).
일반 설명A non-psychoactive cannabinoid found in Cannabis, Cannabigerol (CBG) reportedly has efficacy for medical conditions such as glaucoma and inflammatory bowel disease. This Certified Spiking Solution is suitable for cannabigerol testing methods by HPLC, GC/MS or LC-MS/MS for forensic analysis, clinical toxicology, urine drug testing, and Cannabis potency or impurity profiling testing applications. Cerilliant solution Certified Reference Materials (CRMs) of cannabinoids are supplied in a convenient, quantitative, US DEA-exempt solution format and with TK#s for Canadian customers.
상·하류 제품 정보
상류 원료
하류 제품
추가 설명
ChEBI: A natural product found in Cannabis sativa and Helichrysum species.
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