호데닌
Hordenine
기본 정보
- CAS
539-15-1- 표준 SMILES
CN(C)CCc1ccc(O)cc1- InChIKey
KUBCEEMXQZUPDQ-UHFFFAOYSA-N- 분자식
- C10H15NO
- 평균 분자량
- 165.23 g/mol
- 단동위원소 질량
- 165.1153641
개요
Hordenine is a phenethylamine alkaloid. It has a role as a mouse metabolite and a human metabolite.
이름 및 식별자
- 우선 이름
- Hordenine
- IUPAC
- 4-[2-(dimethylamino)ethyl]phenol
- 현지명
- 호데닌
- 영어명
- Hordenine
- 분자식
- C10H15NO
- 분자량
- 165.23
이름 및 동의어
Hordenine539-15-14-[2-(Dimethylamino)ethyl]phenol4-(2-(Dimethylamino)ethyl)phenolAnhalineN,N-Dimethyltyramine4-(2-Dimethylaminoethyl)phenolPeyocactineAnhalinCactineEremursineOrdenina
이름 더 보기
호데닌HordeineHordeninHordetinOrdenineEremursin
p-(2-Dimethylaminoethyl)phenolDTXSID2046096K3489CA082CHEBI:5764DTXCID0026096N,N-Dimethyl-4-hydroxy-beta-phenethylamineRefChem:38568208-710-4
데이터베이스 식별자
- CAS
539-15-1- PubChem CID
- 68313
- DTXSID
DTXSID2046096- ChEMBL
CHEMBL505789- ChEBI
CHEBI:5764- UNII
- K3489CA082
- EC Number
- 208-710-4
- Nikkaji
- J6.381I
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 117
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Solubility7 mg/mL
Human DrugsPharmaceuticals
Melting Point117.5 °C
Physical DescriptionSolid
Collision Cross Section137.8 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
물리화학적 성질
- 녹는점
- 117 · 117-118°
- 끓는 점
- 11 · bp11 173°
- 밀도
- 1.0203 · 1.0203 (rough estimate)
- 굴절률
- 1.482 · 1.4820 (estimate)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 10.05 · 10.05±0.26(Predicted)
- 색상
- 옅은 노란색에서 어두운 베이지까지
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (92.7%)
안전 데이터
- wgk
- 3
- HS 번호
- 29222990
- risk_code
- 22-36-43
- hazard_code
- Xn
- safety_code
- 26-36/37
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use ClassificationPharmaceuticals
응용 분야
개요Hordenine (Item No. 21626) is a naturally occurring alkaloid found in a variety of plants, most commonly germinated barley (Hordeum species) from which the name is derived, and is structurally classified as a phenethylamine. It is biosynthesized by the step-wise double methylation of tyramine . Hordenine binds to and activates the dopamine D2 receptor (Ki = 13 μM) but antagonizes D2 receptor β-arrestin recruitment. It inhibits tyrosinase activity and expression at concentrations ≥ 50 μM resulting in reduced melanin accumulation in human melanocytes. Hordenine is present in significant amounts in beer and can be measured in serum in the free form, for up to 2 hours, and the glucuronidated form, for up to 6 hours, after beer consumption. This product is intended for research and forensic applications.
용도Hordenine is suitable to study the effect of reed canary grass alkoloids on in vito digestibility. It is also suitable for use as a standard to identify endogenous hordenine in ungerminated and germinated barley by HPLC/diode array detection analysis. Hordenine may be used as an analytical reference material and in research on the activities of phenethylamine type alkaloids.
상·하류 제품 정보
상류 원료
관련 반응
16건
화합물 노트
불러오는 중…