Isoacteoside

HCID 6476333
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기본 정보

CAS
61303-13-7
표준 SMILES
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
InChIKey
FNMHEHXNBNCPCI-QEOJJFGVSA-N
분자식
C29H36O15
평균 분자량
624.6 g/mol
단동위원소 질량
624.20542044

개요

Isoacteoside is a hydroxycinnamic acid.

이름 및 식별자

우선 이름
Isoacteoside
IUPAC
[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
영어명
Isoacteoside
분자식
C29H36O15
분자량
624.59

이름 및 동의어

Isoacteoside61303-13-7isoverbascosideIsoacetoside588LJK42AP[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateNSC-729649DTXSID501317837beta-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-, 6-(3-(3,4-dihydroxyphenyl)-2-propenoate), (E)-((2R,3R,4S,5R,6R)-6-(2-(3,4-dihydroxyphenyl)ethoxy)-3,5-dihydroxy-4-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateRefChem:40262DTXCID501747636
이름 더 보기
Isoacteoside, >=98%2-(3,4-Dihydroxyphenyl)ethyl 3-O-(α-L-rhamnopyranosyl)-6-O-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]-β-D-glucopyranosideEurytectinIsoacteosidIsokusagininIsoacteoside，HPLC≥98%Isoacteoside (Standard)Isoacteoside, 10 mM in DMSO
MFCD06798947iso-acteosideActeoside isomerCCG-270268((2R,3R,4S,5R,6R)-6-(3,4-Dihydroxyphenethoxy)-3,5-dihydroxy-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl (E)-3-(3,4-dihydroxyphenyl)acrylate[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateisoacterosideUNII-588LJK42AP

데이터베이스 식별자

CAS
61303-13-7
PubChem CID
6476333
DTXSID
DTXSID501317837
ChEMBL
CHEMBL504873
ChEBI
CHEBI:192072
UNII
588LJK42AP
EC Number
805-353-1
Nikkaji
J2.924.642D、J389.934I

물성

구조 계산 물성

XLogP
-0.5
극성 표면적
245 Ų
수소 결합 공여자 수
9
수소 결합 수용자 수
15
회전 가능 결합 수
11
무거운 원자 수
44

물리화학적 성질

녹는점
220 · 220~230℃
끓는 점
942.9 · 942.9±65.0 °C(Predicted)
밀도
1.6 · 1.60±0.1 g/cm3(Predicted)
저장 조건
2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도
48 mg/mL · DMSO : ≥ 48 mg/mL (76.85 mM)
물리적 상태
가루

안전 및 규제

GHS 분류

GHS ClassificationNot Classified

유해성 정보

Hazard Classes and CategoriesNot Classified

안전 데이터

wgk
WGK 3
HS 번호
29389090
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요Isoverbascoside is a phenylethanoid glycoside that has been found in C. trichotomum and has diverse biological activities. It scavenges 2,2-diphenyl-1-picrylhydrazyl (DPPH; ) radicals in a cell-free assay and inhibits hydrogen peroxide-induced lipid peroxidation in V79-4 cells when used at a concentration of 10 μg/ml. Isoverbascoside (7.5-30 μM) induces apoptosis and production of reactive oxygen species (ROS) in, and reduces viability of, OVCAR-3 cells. It inhibits tumor growth in an OVCAR-3 mouse xenograft model when administered at a dose of 30 mg/kg. Isoverbascoside (2.5 and 5 mg/kg) decreases brain amyloid deposition and increases exploratory behavior in rats when infused into the cerebral ventricles with amyloid-β (1-42) (Aβ42; ). It also decreases xylene-induced ear edema in mice and increases survival in a mouse model of LPS-induced endotoxic shock.

용도Isoacteoside is a possible food antioxidant.

공급사100 곳

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]
成都曼思特生物科技有限公司18010516991 · [email protected]
南京普怡生物科技有限公司13814510036 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

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