Glycitin

HCID 187808CAS 40246-10-4

기본 정보

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

데이터베이스 식별자

CAS: 40246-10-4
PubChem CID: 187808
DTXSID: DTXSID80193227
ChEBI: CHEBI:80373
UNII: G2S44P62XC
Nikkaji: J396.591K

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 155 Å²
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

White Solid

안전 및 규제

유해성 정보

Regulatory Information · 1건

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

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

南京普怡生物科技有限公司13814510036 · [email protected]

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.

연결된 노트

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