글리시테인

Glycitein

HCID 5317750CAS 40957-83-3
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기본 정보

표준 SMILES
COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O
InChIKey
DXYUAIFZCFRPTH-UHFFFAOYSA-N
분자식
C16H12O5
평균 분자량
284.26 g/mol
단동위원소 질량
284.06847348

개요

Glycitein is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 7 and 4'. It has been isolated from the mycelia of the fungus Cordyceps sinensis. It has a role as a plant metabolite, a fungal metabolite and a phytoestrogen. It is a 7-hydroxyisoflavone and a methoxyisoflavone. It is functionally related to an isoflavone.

이름 및 식별자

우선 이름
Glycitein
IUPAC
7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
현지명
글리시테인
영어명
Glycitein
분자식
C16H12O5
분자량
284.26

이름 및 동의어

Glycitein40957-83-37,4'-Dihydroxy-6-methoxyisoflavone4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one92M5F28TVFDTXSID40193960CHEBI:34778RefChem:143895DTXCID801164516-methoxy-7,4'-dihydroxyisoflavone
이름 더 보기
글리시테인GLYCETEINGliceteinGlycitein-RMGlycitein(SH)Glycitein, >=98%Glycitein (15 mg)Glycitein USP/EP/BP
7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one4',7-Dihydroxy-6-methoxyisoflavoneMFCD00016679GyciteinUNII-92M5F28TVFGlycitein (Standard)CHEMBL513024s9107

데이터베이스 식별자

CAS
40957-83-3
PubChem CID
5317750
DTXSID
DTXSID40193960
ChEMBL
CHEMBL513024
ChEBI
CHEBI:34778
UNII
92M5F28TVF
Nikkaji
J17.583H

물성

구조 계산 물성

XLogP
2.4
극성 표면적
76 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
21

실험 및 물리화학적 성질

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
LogP2.57
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid

물리화학적 성질

녹는점
300 °C · >300°C
끓는 점
547.4 · 547.4±50.0 °C(Predicted)
밀도
1.42 · 1.420±0.06 g/cm3(Predicted)
저장 조건
-20 °C · -20°C
용해도
수용성 염기 (약간 용해됨), DMSO (약간 용해됨)
산도 계수 (pKa)
7.03 · 7.03±0.20(Predicted)

화학적 성질

Pale Orange Solid

안전 및 규제

유해성 정보

Regulatory Information4H-1-Benzopyran-4-one, 7-hydroxy-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
29329990
hazard_code
Xi
safety_code
24/25
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/MetabolitesGlycitein has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid.
MeSH Pharmacological ClassificationCompounds derived from plants, primarily ISOFLAVONES that mimic or modulate endogenous estrogens, usually by binding to ESTROGEN RECEPTORS.
Cellular LocationsMembrane
응용 분야 · 3건

개요Glycitein is an O-methylated isoflavone that comprises 5-10% of the total isoflavones in soy food products. This phytoestrogen is reported to have weak estrogenic activity, displacing estradiol binding at the estrogen receptor in vitro with an IC50 value of 3.94 μM. It suppresses the proliferation of osteoblasts and promotes differentiation from its progenitor. It has also been used to attenuate proliferation (10 μM) of aortic smooth muscle cells related to atherosclerotic vascular change in stroke-prone hypertensive rats and to protect against beta amyloid (Aβ)-induced toxicity and oxidative stress (100 μg/ml) in C. elegans expressing human Aβ.

용도Glycitein may be used as a reference standard in the determination of glycitein in hydrolyzed dry soya extracts using reversed-phase high-performance liquid chromatography (RP-HPLC).

일반 설명Glycitein is an isoflavone found in soy food products.

상·하류 제품 정보

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 methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 7 and 4'. It has been isolated from the mycelia of the fungus Cordyceps sinensis.

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