기본 정보
- CAS
24939-16-0- 표준 SMILES
O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1ccc(O)cc1- InChIKey
PREBVFJICNPEKM-YDWXAUTNSA-N- 분자식
- C19H16O4
- 평균 분자량
- 308.3 g/mol
- 단동위원소 질량
- 308.10485899
개요
Bisdemethoxycurcumin is a beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. It has a role as a metabolite and an EC 3.2.1.1 (alpha-amylase) inhibitor. It is a polyphenol, an enone, a beta-diketone and a diarylheptanoid. It is functionally related to a 4-coumaric acid.
이름 및 식별자
- 우선 이름
- Bisdemethoxycurcumin
- IUPAC
- (1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
- 영어명
- Bisdemethoxycurcumin
- 분자식
- C19H16O4
- 분자량
- 308.32794
이름 및 동의어
Bisdemethoxycurcumin33171-05-0Curcumin IIIDidemethoxycurcumin(1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dionebisdesmethoxycurcuminBis-demethoxycurcuminBis(p-hydroxycinnamoyl)methane1,6-Heptadiene-3,5-dione, 1,7-bis(4-hydroxyphenyl)-DTXSID008726632EFO1BP34RCHEBI:71045
이름 더 보기
bisdemethoxy-curcuminRefChem:569455DTXCID10820312607-464-924939-16-0Bisdemethoxycucurmin(E,E)-BisdemethoxycurcuminBis(4-hydroxycinnamoyl)methane
데이터베이스 식별자
- CAS
24939-16-0、33171-05-0- PubChem CID
- 5315472
- DTXSID
DTXSID00872663- ChEMBL
CHEMBL105350- ChEBI
CHEBI:71045- UNII
- 2EFO1BP34R
- EC Number
- 607-464-9、881-423-5
- Nikkaji
- J468.370F、J877.763B
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 408
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
Collision Cross Section176.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID00872663]
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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. Each notification may be associated with multiple companies.
Not Classified
유해성 정보
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not Classified
화학 및 산업
약리 정보
Metabolism/MetabolitesBisdemethoxycurcumin has known human metabolites that include Bisdemethoxycurcumin, 4-O-glucuronide.
Cellular LocationsMembrane
공급사100 곳
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