CAS号:10176-66-6-石吊兰素 - Nevadensin-科华智慧

1. 主信息

英文名:	Nevadensin
中文名:	石吊兰素
CAS编号:	10176-66-6
化学分子式：	C₁₈H₁₆O₇
化学分子量：	344.3 g/mol
SMILES：	COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O
来源：	白花枝子花吊石苣苔
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	nevadensin

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	5mg	HPLC≥98%	1200	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 41 43 0 0 0 0 0 0 0999 V2000 0.2541 0.3900 -0.1729 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2506 2.6219 -0.4844 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2587 0.0405 -0.2117 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7998 -2.2432 0.1047 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0016 2.4725 -0.5093 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4181 -3.2979 0.2756 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5746 0.2471 -0.0733 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -0.9776 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1109 0.2532 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8669 1.4143 -0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0315 -0.7459 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 -1.0575 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9264 -2.1860 0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8961 0.1057 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2599 1.3389 -0.3505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5368 -1.9854 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -0.4862 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3665 -1.4573 -0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9851 0.7328 0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7394 -1.2111 -0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 0.9793 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2353 0.0073 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 3.3574 0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9219 0.1739 1.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0140 1.5134 0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1463 -2.8700 0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 -2.4098 -0.8953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3241 1.5043 0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4178 -1.9699 -0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6756 1.9455 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1721 -2.9731 0.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9421 2.2268 -0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4857 4.2921 0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9086 3.5967 1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3104 2.7934 1.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6764 1.1309 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0003 0.1392 0.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6514 -0.6510 1.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 1.6390 1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6296 2.3366 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1053 1.5327 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 23 1 0 0 0 0 3 14 1 0 0 0 0 3 24 1 0 0 0 0 4 12 1 0 0 0 0 4 31 1 0 0 0 0 5 15 1 0 0 0 0 5 32 1 0 0 0 0 6 13 2 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 19 21 2 0 0 0 0 19 28 1 0 0 0 0 20 22 2 0 0 0 0 20 29 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5,7-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)chromen-4-one

4.2 InChl

InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3

4.3 InChlKey

KRFBMPVGAYGGJE-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 25 27 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.19615 1 0 0
M  V30 2 O 4.33013 1.5 0 0
M  V30 3 C 3.4641 1 0 0
M  V30 4 C 3.4641 -1.55431e-15 0 0
M  V30 5 C 2.59808 -0.5 0 0
M  V30 6 C 1.73205 -1.22125e-15 0 0
M  V30 7 C 1.73205 1 0 0
M  V30 8 C 2.59808 1.5 0 0
M  V30 9 C 0.866025 -0.5 0 0
M  V30 10 C 0.866025 -1.5 0 0
M  V30 11 C 2.22045e-16 -2 0 0
M  V30 12 O 1.9984e-15 -3 0 0
M  V30 13 C -0.866025 -1.5 0 0
M  V30 14 C -1.73205 -2 0 0
M  V30 15 C -2.59808 -1.5 0 0
M  V30 16 C -2.59808 -0.5 0 0
M  V30 17 C -1.73205 2.55351e-15 0 0
M  V30 18 C -0.866025 -0.5 0 0
M  V30 19 O -0 -0 0 0
M  V30 20 O -1.73205 1 0 0
M  V30 21 C -2.59808 1.5 0 0
M  V30 22 O -3.4641 3.55271e-15 0 0
M  V30 23 O -3.4641 -2 0 0
M  V30 24 C -3.4641 -3 0 0
M  V30 25 O -1.73205 -3 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 6 7
M  V30 8 1 6 9
M  V30 9 2 7 8
M  V30 10 1 9 19
M  V30 11 2 9 10
M  V30 12 1 10 11
M  V30 13 2 11 12
M  V30 14 1 11 13
M  V30 15 1 13 18
M  V30 16 2 13 14
M  V30 17 1 14 15
M  V30 18 1 14 25
M  V30 19 2 15 16
M  V30 20 1 15 23
M  V30 21 1 16 17
M  V30 22 1 16 22
M  V30 23 2 17 18
M  V30 24 1 17 20
M  V30 25 1 18 19
M  V30 26 1 20 21
M  V30 27 1 23 24
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
矮向日葵	Dwarf Sunflower	Helianthus pumilus
博落回	Pink Plumepoppy	Macleaya cordata
刺三加	Trifoliate Acanthopanax	Acanthopanax trifoliatus
焦栀子	Gummy Gardenia	Gardenia gummifera
聚花过路黄	Denseflower Loosestrife	Lysimachia congestiflora
两面针	Shinyleaf Pricklyash Root	Radix Zanthoxyli
十大功劳叶	leaf of leatherleaf Mahonia	Folium Mahoe
石吊兰	Fewflower Lysionotus	Lysionotus pauciflorus
天冬	Cochinchinese Asparagus Root	Radix Asparagi
向日葵叶	Sunflower Leaf	Helianthus annuus

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型