Glycitin
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기본 정보
- CAS
40246-10-4- 표준 SMILES
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
OZBAVEKZGSOMOJ-MIUGBVLSSA-N- 분자식
- C22H22O10
- 평균 분자량
- 446.4 g/mol
- 단동위원소 질량
- 446.1212969
개요
Glycitin is a glycosyloxyisoflavone that is isoflavone substituted by a methoxy group at position 6, a hydroxy group at position 4' and a beta-D-glucopyranosyloxy group at position 7. It has a role as a plant metabolite. It is a 7-hydroxyisoflavones 7-O-beta-D-glucoside, a hydroxyisoflavone, a methoxyisoflavone and a monosaccharide derivative.
이름 및 식별자
- 우선 이름
- Glycitin
- IUPAC
- 3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
- 영어명
- Glycitin
- 분자식
- C22H22O10
- 분자량
- 446.41
이름 및 동의어
Glycitin40246-10-4Glycitein 7-O-glucosideGlycitein 7-O-beta-glucosideGlycitein-7-beta-O-glucosideG2S44P62XC3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneCHEBI:80373DTXSID801932273-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-3-(4-hydroxyphenyl)-6-methoxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-one
이름 더 보기
Glycitein 7-glucosideGlycitin(SH)Glycitin, >99%Glycitin, >=98%Daidzin/GlycitinGlycitin (15 mg)Glycitin USP/EP/BPGlycitin (Standard)Glycitin 7-glucoside
RefChem:143896DTXCID901157183-(4-hydroxyphenyl)-6-methoxy-7-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-4-oneMFCD008007113-(4-hydroxyphenyl)-6-methoxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-oneGLYCITIN [USP-RS]AC-60473-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl .beta.-D-glucopyranoside
물성
구조 계산 물성보충 중
- XLogP
- 0.6
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 690
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
물리화학적 성질
- 녹는점
- 2100 C · 2100C
- 끓는 점
- 751.1 · 751.1±60.0 °C(Predicted)
- 밀도
- 1.545 · 1.545
- 저장 조건
- room temp
- 용해도
- DMSO(약간, 초음파 처리), 메탄올(약간, 가열)에 용해됨
- 산도 계수 (pKa)
- 9.62 · 9.62±0.30(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
- plant (Pueraria thunbergianaI)
- 수용성
- 10 mg, · 10mg, clear, colorless to faintly yellow
- 안정성
- 흡습성
- InChIKey
- OZBAVEKZGSOMOJ-MIUGBVLSSA-N
- SMILES
- O=C1C2=CC(OC)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=C2OC=C1C4=CC=C(O)C=C4
- LogP
- 0.156 · 0.156 (est)
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information
4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- 3
- HS 번호
- 29389090
- safety_code
- 24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationCompounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS.
응용 분야
일반 설명Glycitin is an isoflavonoid recently found in flowers of Pueraria thunbergianaI. Glycitin can be modified into the metabolite glycitein which has anti-inflammatory properties.
상·하류 제품 정보
상류 원료
추가 설명
정의ChEBI: A glycosyloxyisoflavone that is isoflavone substituted by a methoxy group at position 6, a hydroxy group at position 4' and a beta-D-glucopyranosyloxy group at position 7.
관련 반응
1건
화합물 노트
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