6"-오말로닐글리시틴

6''-O-Malonylglycitin

HCID 23724657CAS 137705-39-6

기본 정보

표준 SMILES: COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: OWMHCYFEIJPHFB-GOZZSVHWSA-N
분자식: C25H24O13
평균 분자량: 532.4 g/mol
단동위원소 질량: 532.12169083

개요

Malonylglycitin is a glycosyloxyisoflavone that is glycitin substituted by a malonyl group at position 6''. It has a role as a plant metabolite. It is a malonate ester, a hydroxyisoflavone, a methoxyisoflavone, a monosaccharide derivative and a glycosyloxyisoflavone. It is functionally related to a glycitin.

이름 및 식별자

우선 이름: 6''-O-Malonylglycitin
IUPAC: 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
현지명: 6"-오말로닐글리시틴
영어명: 6''-O-MALONYLGLYCITIN
분자식: C25H24O13
분자량: 532.45

이름 및 동의어

Malonylglycitin6''-O-MALONYLGLYCITIN137705-39-6Glycitin 6''-O-Malonate7625LXB9M8UNII-7625LXB9M8CHEBI:803743-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid3-(4-Hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-8-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acidMALONYL GLYCITIN (CONSTITUENT OF SOY ISOFLAVONES) [DSC]

이름 더 보기

6"-오말로닐글리시틴OWMHCYFEIJPHFB-UHFFFAOYSA-NGlycitin 6′′-O-Malonate, CAS 137705-39-67-[[6-O-(2-Carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-hydroxyphenyl)-6-Methoxy-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 7-6-O-(carboxyacetyl)-.beta.-D-glucopyranosyloxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-Benzopyran-4-one, 7-[[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]oxy]-3-(4-hydroxyphenyl)-6-methoxy-

3-(4-HYDROXYPHENYL)-6-METHOXY-4-OXO-4H-CHROMEN-8-YL 6-O-(CARBOXYACETYL)-.BETA.-D-GLUCOPYRANOSIDE3-oxo-3-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl)oxy)oxan-2-yl)methoxy)propanoic acid3-oxo-3-(((2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl)oxyoxan-2-yl)methoxy)propanoic acidRefChem:103621MALONYL GLYCITIN (CONSTITUENT OF SOY ISOFLAVONES)OWMHCYFEIJPHFB-GOZZSVHWSA-N6"-O-malonylglycitinGlycitein 6''-O-Malonylglucoside

데이터베이스 식별자

CAS: 137705-39-6
PubChem CID: 23724657
DTXSID: DTXSID701314722
ChEBI: CHEBI:80374
UNII: 7625LXB9M8
Nikkaji: J759.938B

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 199 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 13
회전 가능 결합 수: 9
무거운 원자 수: 38
형식 전하: 0
복잡도: 898

실험 및 물리화학적 성질

Melting Point162 °C

Physical DescriptionSolid

물리화학적 성질

끓는 점: 844.6 · 844.6±65.0 °C(Predicted)
밀도: 1.571 · 1.571±0.06 g/cm3(Predicted)
저장 조건: -20 · Store at -20
산도 계수 (pKa): 2.7 · 2.70±0.32(Predicted)
LogP: 1.475 · 1.475 (est)

안전 및 규제

유해성 정보

Regulatory Information · 1건

4H-1-Benzopyran-4-one, 7-6-O-(carboxyacetyl)-.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

HS 번호: 2932990090

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

공급사9 곳

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]

上海维亦特生物科技有限公司15317051735 · [email protected]

凯试(上海)科技有限公司021-50135380 · [email protected]

上海陶素生化科技有限公司021-33632979 · [email protected]

추가 설명

정의ChEBI: A glycosyloxyisoflavone that is glycitin substituted by a malonyl group at position 6''.

연결된 노트

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