CAS号:501-36-0-白藜芦醇 - Resveratrol-科华智慧

1. 主信息

英文名:	Resveratrol
中文名:	白藜芦醇
CAS编号:	501-36-0
化学分子式：	C₁₄H₁₂O₃
化学分子量：	228.24 g/mol
SMILES：	C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
来源：	牡丹桑葡萄虎杖剑叶龙血树
结构类型：	二苯乙烯类
其它名称或标识：	3,4',5-stilbenetriol 3,4',5-Trihydroxystilbene 3,5,4'-trihydroxystilbene cis Resveratrol cis-resveratrol

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	60	点击购买	-20℃	现货	-
科华智慧	100mg	HPLC≥98%	224	点击购买	-20℃	现货	-
科华智慧	5g	BR，98%	128	点击购买	-20℃	现货	-
科华智慧	25g	BR，98%	280	点击购买	-20℃	现货	-
科华智慧	100g	BR，98%	756	点击购买	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 29 30 0 0 0 0 0 0 0999 V2000 -4.8060 -2.1619 -0.3965 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1010 2.4953 0.3775 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2037 -0.3631 0.0735 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7324 -0.2540 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1022 0.2574 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2763 -0.4793 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 0.4755 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 1.0281 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 -1.3290 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 -1.1159 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6023 1.2414 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 -0.8654 0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 1.1719 -0.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4698 0.1693 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 -1.0739 0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3451 0.9632 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -0.1596 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 -1.5130 0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3752 1.4977 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5829 1.8840 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1858 -2.3318 -0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9849 -1.5927 1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5852 2.0524 -1.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5451 0.3285 -0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3829 -1.9498 1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0137 1.6788 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2831 -2.9751 -0.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0717 2.4585 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3814 -1.1862 0.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 27 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 3 17 1 0 0 0 0 3 29 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 12 2 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 14 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 16 2 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

4.2 InChl

InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+

4.3 InChlKey

LUKBXSAWLPMMSZ-OWOJBTEDSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O

4.5 lsomeric SMILES

C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 17 18 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.866025 0.5 0 0
M  V30 2 C -1.73205 -1.44329e-15 0 0
M  V30 3 C -2.59808 0.5 0 0
M  V30 4 C -2.59808 1.5 0 0
M  V30 5 C -1.73205 2 0 0
M  V30 6 C -0.866025 1.5 0 0
M  V30 7 C -2.10942e-15 2 0 0
M  V30 8 C 0.866025 1.5 0 0
M  V30 9 C 0.866025 0.5 0 0
M  V30 10 C 1.73205 3.21965e-15 0 0
M  V30 11 C 1.73205 -1 0 0
M  V30 12 C 0.866025 -1.5 0 0
M  V30 13 C 2.05391e-15 -1 0 0
M  V30 14 C -0 -0 0 0
M  V30 15 O -0.866025 -1.5 0 0
M  V30 16 O 2.59808 -1.5 0 0
M  V30 17 O -3.4641 -1.77636e-15 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 3 17
M  V30 6 1 4 5
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 2 7 8
M  V30 10 1 8 9
M  V30 11 1 9 14
M  V30 12 2 9 10
M  V30 13 1 10 11
M  V30 14 2 11 12
M  V30 15 1 11 16
M  V30 16 1 12 13
M  V30 17 2 13 14
M  V30 18 1 13 15
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
白藜芦醇	White Falsehellebore	Veratrum album
赤小豆	Rice Bean	Semen Phaseoli
穿破石	root of Tricuspid cudrania	Radix Cudraniae
钝叶车轴草	Suckling Clover	Trifolium dubium
防己叶菝葜	Gansu Greenbrier	Smilax menispermoidea
甘遂	root of Gansui	Radix Kansui
枸骨叶	Folium Ilicis Cornutae	-
构树	Common Papermulberry	Broussonetia papyrifera
何首乌	Tuber Fleeceflower	Polygonum multiflorum
虎杖	rhizome of Gaint Knotweed	Rhizoma Polygoni cuspidati

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7. 相关靶点

基因靶点	靶点位置	参考文献
ABCB1	7q21.12	22011009
Abcb1b	5 A1\|5 3.43 cM	22011009
ACE2	Xp22.2	28935757
ACTA2	10q23.31	26891034
ACTG2	2p13.1	23262250
ADIPOQ	3q27.3	22388319
AGT	1q42.2	29566148
AHR	7p21.1	24247421
AHR	7p21.1	31027257
AKT1	14q32.33	20720562

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8. 相关疾病

疾病名称	疾病类型	参考文献
Acute kidney injury	disease	21975863
Acute Lung Injury	disease	25512625
Adenoma	group	26223300
Adenomatous Polyposis Coli	disease	24516128
Adrenoleukodystrophy	disease	25822341
Aging	phenotype	25677910
Aging	phenotype	28677234
Aging	phenotype	28070015
Aging	phenotype	23293221
Aging	phenotype	22304913

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