기본 정보
- CAS
120834-89-1- 표준 SMILES
COc1ccc2c(c1OC)CN1CCc3cc4c(cc3C1=C2)OCO4- InChIKey
FZAGOOYMTPGPGF-UHFFFAOYSA-N- 분자식
- C20H19NO4
- 평균 분자량
- 337.4 g/mol
- 단동위원소 질량
- 337.13140809
이름 및 식별자
- 우선 이름
- Dihydroberberine
- IUPAC
- 16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene
- 현지명
- 디히드로베르베린
- 영어명
- dihydroberberine
- 분자식
- C20H19NO4
- 분자량
- 337.37
이름 및 동의어
Dihydroberberine483-15-8Dihydroumbellatine7,8-Dihydroberberine16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaeneDTXSID7019747616,17-dimethoxy-5,7-dioxa-13-azapentacyclo(11.8.0.02,10.04,8.015,20)henicosa-1(21),2,4(8),9,15(20),16,18-heptaeneRefChem:587701DTXCID80119967DihydroberbineLambertine9,10-Dimethoxy-6,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline
이름 더 보기
디히드로베르베린Nsc331264DihyddroberberineDihydroberberine-RMdihydroberberine CASBerberine Dihydro ImpurityDihydroberberine (Standard)
lambertinDihydroberberine/dihydroumbellatine3btiBerberine, dihydro-MFCD000223129,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydroberbineBERBINE, 13,13a-DIDEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-6H-Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine, 5,8-dihydro-9,10-dimethoxy-
데이터베이스 식별자
- CAS
120834-89-1、483-15-8- PubChem CID
- 10217
- DTXSID
DTXSID70197476- ChEMBL
CHEMBL11848- ChEBI
CHEBI:192073- EC Number
- 683-111-2
- Nikkaji
- J126.057J
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 40.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 538
실험 및 물리화학적 성질
Melting Point163 - 164 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 223 · 223-224℃ (dec.)
- 끓는 점
- 557.8 · 557.8±50.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3 (20 ºC 760 Torr)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO에 용해됨
- 산도 계수 (pKa)
- 3.08 · 3.08±0.20(Predicted)
- 물리적 상태
- 크리스탈
- 색상
- 노란색
- 수용성
- 57.46 mg/l · Soluble to 57.46 mg/l in water
- InChI
- InChI=1S/C20H19NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-9H,5-6,10-11H2,1-2H3
- InChIKey
- FZAGOOYMTPGPGF-UHFFFAOYSA-N
- SMILES
- C12C=C3C(=CC=1CCN1C2=CC2=CC=C(OC)C(OC)=C2C1)OCO3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H226
화학 및 산업
약리 정보
Cellular LocationsMembrane
응용 분야
개요Dihydroberberine: a natural derivative of BerberineDihydroberberine (DHB) is emerging as a popular supplement for its enhanced bioavailability and therapeutic efficacy compared to its precursor, Berberine. Berberine, a natural compound, has been widely used for its antimicrobial and anti-inflammatory properties. It has also shown promise in improving glucose and lipid metabolism, supporting cardiovascular health, and offering neuroprotective effects.
용도Dihydroberberine is a derivative Berberine (B318150), an isoqinoline alkaloid shown to have a chemopreventive property against colon tumor formation by inhibiting the enzyme cyclooxygenase-2 (cox-2) which is abundantly expressed in colon cancer cells.
공급사100 곳
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