기본 정보
- CAS
17306-46-6- 표준 SMILES
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
RPMNUQRUHXIGHK-PYXJVEIZSA-N- 분자식
- C27H30O14
- 평균 분자량
- 578.5 g/mol
- 단동위원소 질량
- 578.16355563
개요
Apigenin 7-O-neohesperidoside is an apigenin derivative having an alpha-(12)-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group. It has a role as a metabolite. It is a neohesperidoside, a dihydroxyflavone and a glycosyloxyflavone. It is functionally related to an apigenin.
이름 및 식별자
- 우선 이름
- Rhoifolin
- IUPAC
- 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
- 영어명
- RHOIFOLIN
- 분자식
- C27H30O14
- 분자량
- 578.52
이름 및 동의어
Rhoifolin17306-46-6RhoifolosideApigenin 7-O-neohesperidosideApigenin-7-O-neohesperidosideApigenin-7-O-rhamnoglucosideK86F9AKS2ACHEBI:31227NSC-6494137-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-oneDTXSID10938284
이름 더 보기
C12627Rhoifolin-RMRhoifolin (15 mg)RHOIFOLIN WITH HPLCRhoifolin (Standard)Rhoifolin, 10 mM in DMSO
4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one4',5,7-trihydroxyflavone-7-rhamnoglucosideRefChem:179315DTXCID201366823241-335-47-((2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 225 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 939
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Collision Cross Section
231.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
234.48 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 250 · 250-265 °C(Solv: ethyl acetate (141-78-6))
- 끓는 점
- 916.5 · 916.5±65.0 °C(Predicted)
- 밀도
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- 저장 조건
- 0 · 0-6°C
- 용해도
- Soluble in methan
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 6.11 · 6.11±0.40(Predicted)
- 색상
- 노란색
- 생물학적 소스
- synthetic
- InChIKey
- RPMNUQRUHXIGHK-HNTVRLFJNA-N
- SMILES
- C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C=C(Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O
- LogP
- -0.06 · -0.060 (est)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- HS 번호
- 29399990
- hazard_code
- Xi
- safety_code
- 24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
상·하류 제품 정보
상류 원료
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都曼思特生物科技有限公司18010516991 · [email protected]
陕西新阳禾生物科技有限公司18391023245 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
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