기본 정보
- CAS
25555-57-1- 표준 SMILES
CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)O- InChIKey
SEEZIOZEUUMJME-FOWTUZBSSA-N- 분자식
- C22H32O4
- 평균 분자량
- 360.5 g/mol
- 단동위원소 질량
- 360.2300595
개요
Cannabigerolic acid is a dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a geranyl group. A biosynthetic precursor to 9-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant. It is a dihydroxybenzoic acid, a diterpenoid, a polyketide, a member of resorcinols and a phytocannabinoid. It is functionally related to an olivetolic acid. It is a conjugate acid of a cannabigerolate.
이름 및 식별자
- 우선 이름
- Cannabigerolic Acid
- IUPAC
- 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid
- 현지명
- 칸나비게롤산
- 영어명
- cannabigerolic acid
- 분자식
- C22H32O4
- 분자량
- 360.49
이름 및 동의어
Cannabigerolic acid25555-57-180I4ZM847YCHEBI:67081DTXSID401315426(E)-3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-pentylbenzoic acid3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid3-((2E)-3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxy-6-pentylbenzoic acidRefChem:5642DTXCID501745335CBGAUNII-80I4ZM847Y
이름 더 보기
칸나비게롤산cannabigerolicaci(E)-Cannabigerolic AcidCannabigerolic Acid (CRM)Cannabigerolic acid solutionCannabigerolic Acid (Alt. Batch CRM)Cannabigerolic acid (CBGA) in AcetonitrileCannabigerolic acid (CBGA) 100 μg/mL in Acetonitrile
3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxy-6-pentylbenzoic acidBenzoic acid, 3-(3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-pentyl-, (E)-Cannabigerolic acid (CBGA)SEEZIOZEUUMJME-FOWTUZBSSA-NA1CGBCHEMBL463843orb1690779SCHEMBL9909324
데이터베이스 식별자
- CAS
25555-57-1- PubChem CID
- 6449999
- DTXSID
DTXSID401315426- ChEMBL
CHEMBL463843- ChEBI
CHEBI:67081- UNII
- 80I4ZM847Y
- EC Number
- 950-268-6
- Nikkaji
- J19.302J
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 77.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 490
실험 및 물리화학적 성질
DrugsDEA NFLIS-Drug Category -> Cannabinoids
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Other aromatic polyketides [PK1312]
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 535.7 · 535.7±50.0 °C(Predicted)
- 밀도
- 1.082 · 1.082±0.06 g/cm3(Predicted)
- 인화점
- 9 ℃ · 9℃
- 저장 조건
- -70 °C · -70°C
- 산도 계수 (pKa)
- 3.42 · 3.42±0.43(Predicted)
- 물리적 상태
- A neat solid
- 주요 응용
- 대마초 검사대마초 검사
- 화장품 원료 기능
- 피부 컨디셔닝 - 기타
- InChI
- 1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/b16-12+
- InChIKey
- SEEZIOZEUUMJME-FOWTUZBSSA-N
- SMILES
- Oc1c(c(cc(c1C(=O)O)CCCCC)O)C\C=C(\CCC=C(C)C)/C
화학적 성질
white to slightly yellowish crystalline powder.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.
Warning
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 04-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32802
Hazard Classes and CategoriesAcute Tox. 4 (40%)
안전 데이터
- wgk
- 2
- ridadr
- UN 1648 3 / PGII
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도cannabigerolic acid (CBGA), a major biosynthetic precursor molecule in cannabis,exhibits divergent effects on seizures in mouse models of epilepsy. CBGA is generated from geranyl pyrophosphate and olivetolic acid by Cannabis sativaprenyltransferase (CsPT4).
일반 설명A non-psychoactive cannabinoid, cannabigerolic acid (CBGA), is the precursor to THCA, CBDA, and CBCA cannabinoids in Cannabis. Cannabigerolic acid reportedly has efficacy in treatment of cancer and schizophrenia. This Certified Spiking Solution is suitable for CBGA testing methods by HPLC, LC/MS, or GC/MS for applications in testing of Cannabis potency or impurity profiling, pharmaceutical research, and forensic analysis. 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.
공급사17 곳
成都健腾生物技术有限公司028-85159085 · [email protected]
深圳创元生物医药科技有限公司0755-26916280 13602537306
上海九芳科技有限公司021-61150629 15921749159 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
泰州布莱泽生物医药科技有限公司0523-86112008 13915404123 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
泰州布莱泽生物医药科技有限公司0523-86112008 13915404123 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
厦门沃克沃德医药科技有限公司15921822462 15921822462 · [email protected]
추가 설명
정의ChEBI: Cannabigerolic acid is a dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a geranyl group. A biosynthetic precursor to Delta(9)-tetrahydrocannabinol, the principal psychoactive constituent of the cannabis plant. It is a dihydroxybenzoic acid, a diterpenoid, a polyketide, a member of resorcinols and a phytocannabinoid. It is functionally related to an olivetolic acid. It is a conjugate acid of a cannabigerolate.
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