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Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
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(1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid

HCID 73466
노트반응

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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
5945-50-6
표준 SMILES
O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]2(O)CO
분자식
C16H22O11
평균 분자량
390.34 g/mol

이름 및 식별자

우선 이름
(1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid
영어명
(1S,2S,6S,9R)-9-hydroxy-9-(hydroxymethyl)-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,7-diene-5-carboxylic acid
분자식
C16H22O11
분자량
390.34

이름 및 동의어

MonotropeinMonotropeineCrystal orchidMonotropein (Standard)Morinda officinalis HowMonotropein >=98% (HPLC)Monotropein, 10 mM in DMSOMonotropein, 98%, from Monotropa uniflora L.1α-(β-D-Glucopyranosyloxy)-1,4aα,7,7aα-tetrahydro-7β-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acidCyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-(hydroxymethyl)-, (1S,4aS,7R,7aS)-

데이터베이스 식별자

CAS
5945-50-6
PubChem CID
73466
ChEBI
CHEBI:6988
UNII
0Y61M84O2T
EC Number
109-954-3
Nikkaji
J8.311I

물성

물리화학적 성질

녹는점
170 · 170-173 °C
끓는 점
717.6 · 717.6±60.0 °C(Predicted)
밀도
1.73 · 1.73±0.1 g/cm3(Predicted)
저장 조건
-20 °C · Sealed in dry,Store in freezer, under -20°C
용해도
Soluble in methanol and water
물리적 상태
가루
산도 계수 (pKa)
4.31 · 4.31±0.60(Predicted)
색상
하얀색
주요 응용
대사체학비타민, 기능성 식품 및 천연 제품
InChI
1S/C16H22O10/c17-3-7-5-24-14(10-8(7)1-2-16(10,23)6-19)26-15-13(22)12(21)11(20)9(4-18)25-15/h1-3,5,8-15,18-23H,4,6H2/t8-,9-,10-,11-,12+,13-,14+,15+,16+/m1/s1
InChIKey
CYYIGLDAAXXQAI-PSWNKMJPSA-N
SMILES
O[C@H]1[C@H](O)[C@@H](O)[C@@](O[C@H]2[C@@]([C@](CO)(O)C=C3)([H])[C@@]3([H])C(C(O)=O)=CO2)([H])O[C@@H]1CO

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

wgk
WGK 3
HS 번호
29389090
safety_code
24/25
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

개요Monotropein is an iridoid glycoside originally isolated from M. officinalis roots and has diverse biological activities. It increases cell viability and migration of bone marrow-derived endothelial progenitor cells (BM-EPCs) when used at concentrations ranging from 0.1 to 1,000 μM. Monotropein inhibits apoptosis and reduces levels of matrix metalloproteinase-3 (MMP-3) and MMP-13 in chondrocytes. It inhibits LPS-induced nuclear translocation of NF-κB and reduces COX-2, inducible nitric oxide synthase (iNOS), TNF-α, and IL-1β mRNA expression in RAW 264.7 cells. Monotropein (100 and 200 mg/kg) reduces colonic myeloperoxidase (MPO) activity, COX-2 and iNOS mRNA expression, and disease severity in a mouse model of ulcerative colitis induced by dextran sulfate sodium (DSS; ). It increases bone mineral content, bone mineral density, and improves bone microstructure in ovariectomized mice when administered at doses of 40 or 80 mg/kg. Monotropein (20 and 30 mg/kg) reduces acetic acid-induced writhing in mice and carrageenan-induced paw edema in rats. It also decreases macrophage infiltration and wound healing time and increases blood vessel formation in a rat model of wound healing.

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]
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南京普怡生物科技有限公司13814510036 · [email protected]
成都埃法生物科技有限公司028-028-85142057 19983342022 · [email protected]
江苏永健医药科技有限公司17701422015 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

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추가 설명 · 1건

정의ChEBI: An iridoid monoterpenoid that is 1,4a,7,7a-tetrahydrocyclopenta[c]pyran substituted by a beta-D-glucopyranosyloxy group at position 1, a carboxylic acid group at position 4, and at position 7 by a hydroxy and ydroxymethyl groups respectively (the 1S,4aS,7R,7aS diastereomer).