Isoviolanthin
기본 정보
- CAS
40788-84-9- 표준 SMILES
C[C@@H]1O[C@@H](c2c(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3oc(-c4ccc(O)cc4)cc(=O)c3c2O)[C@H](O)[C@H](O)[C@H]1O- InChIKey
TWBWSPDILHVKEV-RSPRXDBDSA-N- 분자식
- C27H30O14
- 평균 분자량
- 578.5 g/mol
개요
Isoviolanthin has been reported in Passiflora sexflora, Dendrobium crystallinum, and Angiopteris evecta with data available.
이름 및 식별자
- 우선 이름
- Isoviolanthin
- IUPAC
- 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one
- 영어명
- Isoviolanthin
- 분자식
- C27H30O14
- 분자량
- 578.52
이름 및 동의어
Isoviolanthin40788-84-95,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]chromen-4-one5,7-dihydroxy-2-(4-hydroxyphenyl)-8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-6-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)chromen-4-oneRefChem:1501315,7-dihydroxy-2-(4-hydroxyphenyl)-8-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)-6-((2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl)chromen-4-one5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-6-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)-4H-chromen-4-oneisovilanthinMFCD32197403Isoviolanthin (Standard)orb1218057orb1308800
이름 더 보기
Isoviolanthin, 10 mM in DMSO4H-1-Benzopyran-4-one, 6-(6-deoxy-α-L-mannopyranosyl)-8-β-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-TGF-beta/Smad,Transforming growth factor beta,normal liver LO2 cells,TGF-β1 EMT,Isoviolanthin,hepatocellular carcinoma cells cytotoxic effects,Inhibitor,inhibit
물성
구조 계산 물성
- XLogP
- -1.8
- 극성 표면적
- 247 Ų
- 수소 결합 공여자 수
- 10
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 970
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 끓는 점
- 925.3 · 925.3±65.0 °C(Predicted)
- 밀도
- 1.703 · 1.703±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.7 · 5.70±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- Light yellow to yellow
- InChIKey
- TWBWSPDILHVKEV-RSPRXDBDSA-N
- SMILES
- O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1c2c3[o]c(c[c](c3c(c(c2O)[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)C)O)=O)c4ccc(cc4)O)O)O)O)CO
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
관련 반응
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