기본 정보
- CAS
18797-79-0- 표준 SMILES
CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](O)Cc3cc4c(cc3[C@@H]12)OCO4- InChIKey
IQUGPRHKZNCHGC-TYPHKJRUSA-N- 분자식
- C21H21NO5
- 평균 분자량
- 367.4 g/mol
- 단동위원소 질량
- 367.14197277
개요
Corynoline is a benzophenanthridine alkaloid that is chelidonine substituted by a methyl group at position 13. Isolated from the aerial parts of Corydalis incisa, it acts as an acetylcholinesterase inhibitor and also exhibits antineoplastic and hepatoprotective activity. It has a role as a metabolite, an antineoplastic agent, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a hepatoprotective agent. It is a member of isoquinolines, a secondary alcohol, a benzophenanthridine alkaloid, an organic heterohexacyclic compound and a cyclic acetal. It is functionally related to a chelidonine.
이름 및 식별자
- 우선 이름
- Corynoline
- IUPAC
- (1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
- 영어명
- CORYNOLINE
- 분자식
- C21H21NO5
- 분자량
- 367.4
이름 및 동의어
Corynoline13-methylchelidonineChelidonine, 13-methyl-ZQ9W3JU6N3DTXSID20940272(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-olCHEBI:65660(1R,12S,13R)-13,24-dimethyl-5,7,18,20-tetraoxa-24-azahexacyclo(11.11.0.02,10.04,8.014,22.017,21)tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-olRefChem:128172DTXCID70136874318797-79-0(+)-corynoline
이름 더 보기
CORYNOLINE(P)Corynoline-RM8-Dihydrokawain8-DihydrokavainCorynoline (Standard)dimethyl-, (5bR,6S,12bR)-Corynoline, 10 mM in DMSO13-Methylchelidonan-11β-ol
(11S,13R,14R)-corynoline(5BR,6S,12BR)-5B,13-DIMETHYL-5B,6,7,12B,13,14-HEXAHYDRO-[1,3]DIOXOLO[4',5':4,5]BENZO[1,2-C][1,3]DIOXOLO[4,5-I]PHENANTHRIDIN-6-OL[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, (5bR,6S,12bR)-68035-45-0UNII-ZQ9W3JU6N3CHEMBL4126384HY-N0826(invertedexclamationmarkA)-Corynoline
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 60.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 603
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical shift
물리화학적 성질
- 녹는점
- 180 · 180~181℃
- 끓는 점
- 504.2 · 504.2±50.0 °C(Predicted)
- 밀도
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨, 가열)
- 산도 계수 (pKa)
- 14.14 · 14.14±0.40(Predicted)
- 물리적 상태
- 고체
- 색상
- 황백색에서 연한 노란색
- 안정성
- 감광성
- InChI
- InChI=1S/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1
- InChIKey
- IQUGPRHKZNCHGC-TYPHKJRUSA-N
- SMILES
- [C@@H]1(O)[C@@]2(C)[C@]([H])(N(C)CC3=C2C=CC2OCOC3=2)C2C=C3OCOC3=CC=2C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (95%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (95%)
안전 데이터
- HS 번호
- 29389090
- safety_code
- 24/25
화학 및 산업
응용 분야
개요The empirical formula of corynoline should read C21H21NO5
용도Corynoline is an isoquinoline alkaloid with reported pharmacological activity such as cell adhesion inhibition, sedation and liver protection.
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
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