CAS号:1447-88-7-高车前素 - Hispidulin-科华智慧

1. 主信息

英文名:	Hispidulin
中文名:	高车前素
CAS编号:	1447-88-7
化学分子式：	C₁₆H₁₂O₆
化学分子量：	300.26 g/mol
SMILES：	COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O
来源：	艾蓟射干长管大青一年蓬
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	4',5,7-trihydroxy-6-methoxy-flavone 4',5,7-trihydroxy-6-methoxyflavone dinatin hispidulin

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	10mg	HPLC≥98%	1440	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 34 36 0 0 0 0 0 0 0999 V2000 0.4549 0.7481 -0.0986 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0472 0.2736 -0.2234 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5374 -1.9899 -0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 2.7528 -0.3729 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1334 -2.9967 0.1312 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 0.7447 0.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5153 -0.6716 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9063 0.5798 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2574 -0.3768 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9071 -0.7832 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -1.8679 0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6881 1.7301 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6867 0.3690 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -1.6335 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7045 -0.0827 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0787 1.6229 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6133 -1.0061 -0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 1.1203 0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9802 -0.7282 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5379 1.3982 0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 0.4739 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7285 0.3233 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2165 2.7078 -0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4199 -2.5101 0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 -1.9436 -0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4893 1.8549 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6746 -1.4543 -0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8924 2.3354 0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8937 -2.7098 0.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7695 2.4958 -0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4442 -0.5281 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8034 0.2701 0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5141 1.2604 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2532 -0.0027 -0.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 22 1 0 0 0 0 3 10 1 0 0 0 0 3 29 1 0 0 0 0 4 16 1 0 0 0 0 4 30 1 0 0 0 0 5 11 2 0 0 0 0 6 21 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 16 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 18 26 1 0 0 0 0 19 21 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-one

4.2 InChl

InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3

4.3 InChlKey

IHFBPDAQLQOCBX-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 24 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.19615 -4 0 0
M  V30 2 O 5.19615 -3 0 0
M  V30 3 C 4.33013 -2.5 0 0
M  V30 4 C 3.4641 -3 0 0
M  V30 5 C 2.59808 -2.5 0 0
M  V30 6 C 2.59808 -1.5 0 0
M  V30 7 C 3.4641 -1 0 0
M  V30 8 C 4.33013 -1.5 0 0
M  V30 9 O 5.19615 -1 0 0
M  V30 10 O 1.73205 -1 0 0
M  V30 11 C 0.866025 -1.5 0 0
M  V30 12 C 0.866025 -2.5 0 0
M  V30 13 C 1.73205 -3 0 0
M  V30 14 O 1.73205 -4 0 0
M  V30 15 C 3.84593e-16 -1 0 0
M  V30 16 C -0.866025 -1.5 0 0
M  V30 17 C -1.73205 -1 0 0
M  V30 18 C -1.73205 -1.77636e-15 0 0
M  V30 19 C -0.866025 0.5 0 0
M  V30 20 C -0 -0 0 0
M  V30 21 O -2.59808 0.5 0 0
M  V30 22 O 3.4641 -4 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 1 4 22
M  V30 7 1 5 13
M  V30 8 2 5 6
M  V30 9 1 6 7
M  V30 10 1 6 10
M  V30 11 2 7 8
M  V30 12 1 8 9
M  V30 13 1 10 11
M  V30 14 2 11 12
M  V30 15 1 11 15
M  V30 16 1 12 13
M  V30 17 2 13 14
M  V30 18 1 15 20
M  V30 19 2 15 16
M  V30 20 1 16 17
M  V30 21 2 17 18
M  V30 22 1 18 19
M  V30 23 1 18 21
M  V30 24 2 19 20
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
艾叶	leaf of Argy Wormwood	Folium Artemisiae Argyi
艾叶黄芩	Przewalsk Skullcap	Scutellaria przewalskii
板蓝根	Root of Dyers Woad.	Radix Isatidis seu Baphicacanthi
半枝莲	all - grass of Barbed Skullcap	Herba Scutellariae barbatae
长管假茉莉	Indian Glorybower	Clerodendron indicum
车前草	all-grass of Rippleseed plantain	Herba Plantaginis
车前子	seed of Asiatic pantain	Semen Plantaginis
臭茉莉	Fragrant Glorybower	Clerodendron fragrans
粗硬毛豚草	Hispid Ragweed	Ambrosia hispida
大蓟	all-grass of Thistle	Herba Cirsii Japonici;Radix Cirsii Japonici;Herba

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7. 相关靶点

基因靶点	靶点位置	参考文献
BCL2L11	2q13	31817696
PRKAA1	5p13.1	31817696
PRKAA2	1p32.2	31817696
PRKAB1	12q24.23	31817696
TNFSF10	3q26.31	31817696
USP51	Xp11.21	31817696

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8. 相关疾病

疾病名称

疾病类型

参考文献

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