기본 정보
- CAS
2808-39-1- 표준 SMILES
CCCCCc1cc2c(c(O)c1C(=O)O)-c1cc(C)ccc1C(C)(C)O2- InChIKey
KXKOBIRSQLNUPS-UHFFFAOYSA-N- 분자식
- C22H26O4
- 평균 분자량
- 354.4 g/mol
- 단동위원소 질량
- 354.18310931
개요
Cannabinolic acid is a benzochromene that is cannabinol substituted by a carboxy group at position 2. It is a precursor in the biosynthesis of cannabinol. It has a role as an antibacterial agent, a neuroprotective agent, an anti-inflammatory agent and a plant metabolite. It is a polyketide, a hydroxy monocarboxylic acid, a benzochromene and a phytocannabinoid.
이름 및 식별자
- 우선 이름
- Cannabinolic acid
- IUPAC
- 1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylic acid
- 현지명
- 칸나비놀산
- 영어명
- cannabinolic acid
- 분자식
- C22H26O4
- 분자량
- 354.44
이름 및 동의어
Cannabinolic acid2808-39-1X4XY4HH9NUDTXSID601823561-hydroxy-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-2-carboxylic acid6H-Dibenzo(b,d)pyran-2-carboxylic acid, 1-hydroxy-6,6,9-trimethyl-3-pentyl-1-hydroxy-6,6,9-trimethyl-3-pentylbenzo[c]chromene-2-carboxylic acid1-HYDROXY-6,6,9-TRIMETHYL-3-PENTYL-6H-DIBENZO(B,D)PYRAN-2-CARBOXYLIC ACID1-hydroxy-6,6,9-trimethyl-3-pentylbenzo(c)chromene-2-carboxylic acidRefChem:31506DTXCID70104847873-780-0
이름 더 보기
칸나비놀산Cannabinolic Acid (CRM)Pomalidomide Impurity 49Cannabinolic Acid (CBNA) solutionCannabinolic Acid (Alt. Batch CRM)Cannabinolic acid (CBNA) 100 μg/mL in MethanolCannabinolic acid (CBNA) 1000 μg/mL in Methanol6H-Dibenzo[b,d]pyran-2-carboxylic acid, 1-hydroxy-6,6,9-trimethyl-3-pentyl-
CBNAcannabinolic acid AUNII-X4XY4HH9NUCannabinolic acid (CBNA)CHEMBL464869SCHEMBL13120592SCHEMBL29351550SCHEMBL29397553
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 502
실험 및 물리화학적 성질
DrugsDEA NFLIS-Drug Category -> Cannabinoids
LipidsPolyketides [PK] -> Aromatic polyketides [PK13] -> Other aromatic polyketides [PK1312]
물리화학적 성질
- 저장 조건
- -70 °C · -70°C
- 용해도
- 12 mg/ml; · DMF: 12 mg/ml; DMSO: 10 mg/ml; Ethanol: Slightly soluble; PBS (pH 7.2): 0.3 mg/ml
- 물리적 상태
- 고체
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- ridadr
- UN 1648 3 / PGII
화학 및 산업
공급사1 곳
ShenZhen H&D Pharmaceutical Technology Co., LTD+86-18627948422 · [email protected]
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