CAS号:22136-74-9-竹柏双黄酮 A - Podocarpusflavone A-科华智慧

1. 主信息

英文名:	Podocarpusflavone A
中文名:	竹柏双黄酮 A
CAS编号:	22136-74-9
化学分子式：	C₃₁H₂₀O₁₀
化学分子量：	552.5 g/mol
SMILES：	COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O
来源：	-
结构类型：	-
其它名称或标识：	podocarpusflavone A

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%	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 61 66 0 0 0 0 0 0 0999 V2000 -2.5193 -0.0184 -0.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7631 0.3266 0.2613 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 4.5489 -0.5879 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8884 3.5175 2.3006 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 1.9909 -3.1029 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5144 0.9823 2.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5955 -0.0515 0.2562 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2380 0.8494 -1.8004 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -1.3327 4.0667 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -6.2515 -1.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 2.2437 -0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 1.2986 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8531 1.8287 -1.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7443 1.7100 1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4327 1.1404 -1.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0791 3.5992 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4112 1.5415 -0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9228 3.0660 1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1011 1.7171 -2.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3292 -0.9809 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7744 0.8346 -1.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6112 0.6926 1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0861 4.0091 0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1874 1.0278 -2.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3328 -0.7101 1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0795 1.3161 -3.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0106 -2.3629 0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1856 0.1605 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 0.0054 0.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8862 1.0231 -1.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2007 0.6905 -1.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -0.1841 0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9189 -0.4968 2.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0198 -3.3268 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6981 -2.7126 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1048 -0.8420 2.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 -0.6858 2.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7183 -4.6323 -0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 -4.0179 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4068 -4.9778 -0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7518 -6.5366 -1.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5945 1.6403 0.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2252 5.0649 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9495 0.6969 -3.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9565 -1.4651 1.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2577 1.2189 -4.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8938 1.4322 -2.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9658 -0.6196 2.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0570 -3.0926 0.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8905 -1.9857 -0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5555 5.4271 -0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2551 -0.9548 2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 2.7767 2.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3045 1.8555 -4.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5099 -5.3749 -0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3576 -4.2185 -0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5032 0.3064 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 -1.5183 4.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0982 -6.4035 -0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 -5.9594 -2.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7001 -7.5940 -1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 2 29 1 0 0 0 0 3 16 1 0 0 0 0 3 51 1 0 0 0 0 4 18 1 0 0 0 0 4 53 1 0 0 0 0 5 19 1 0 0 0 0 5 54 1 0 0 0 0 6 22 2 0 0 0 0 7 32 1 0 0 0 0 7 57 1 0 0 0 0 8 31 2 0 0 0 0 9 36 1 0 0 0 0 9 58 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 14 2 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 15 24 1 0 0 0 0 16 23 1 0 0 0 0 17 42 1 0 0 0 0 18 23 2 0 0 0 0 19 26 1 0 0 0 0 20 25 2 0 0 0 0 20 27 1 0 0 0 0 21 30 2 0 0 0 0 22 25 1 0 0 0 0 23 43 1 0 0 0 0 24 26 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 34 2 0 0 0 0 27 35 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 28 32 2 0 0 0 0 29 33 2 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 32 37 1 0 0 0 0 33 36 1 0 0 0 0 33 48 1 0 0 0 0 34 38 1 0 0 0 0 34 49 1 0 0 0 0 35 39 2 0 0 0 0 35 50 1 0 0 0 0 36 37 2 0 0 0 0 37 52 1 0 0 0 0 38 40 2 0 0 0 0 38 55 1 0 0 0 0 39 40 1 0 0 0 0 39 56 1 0 0 0 0 41 59 1 0 0 0 0 41 60 1 0 0 0 0 41 61 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one

4.2 InChl

InChI=1S/C31H20O10/c1-39-17-5-2-14(3-6-17)25-13-24(38)30-22(36)11-21(35)28(31(30)41-25)18-8-15(4-7-19(18)33)26-12-23(37)29-20(34)9-16(32)10-27(29)40-26/h2-13,32-36H,1H3

4.3 InChlKey

RBTRUVNXLDXHBJ-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)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 41 46 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -0.866025 4.5 0 0
M  V30 2 O -0.866025 3.5 0 0
M  V30 3 C -1.11208e-14 3 0 0
M  V30 4 C 0.866025 3.5 0 0
M  V30 5 C 1.73205 3 0 0
M  V30 6 C 1.73205 2 0 0
M  V30 7 C 0.866025 1.5 0 0
M  V30 8 C -8.59811e-15 2 0 0
M  V30 9 C 2.59808 1.5 0 0
M  V30 10 C 3.4641 2 0 0
M  V30 11 C 4.33013 1.5 0 0
M  V30 12 O 5.19615 2 0 0
M  V30 13 C 4.33013 0.5 0 0
M  V30 14 C 3.4641 3.88578e-15 0 0
M  V30 15 O 2.59808 0.5 0 0
M  V30 16 C 3.4641 -1 0 0
M  V30 17 C 4.33013 -1.5 0 0
M  V30 18 C 5.19615 -1 0 0
M  V30 19 C 5.19615 8.9373e-15 0 0
M  V30 20 O 6.06218 0.5 0 0
M  V30 21 O 4.33013 -2.5 0 0
M  V30 22 C 2.59808 -1.5 0 0
M  V30 23 C 2.59808 -2.5 0 0
M  V30 24 C 1.73205 -3 0 0
M  V30 25 C 0.866025 -2.5 0 0
M  V30 26 C 0.866025 -1.5 0 0
M  V30 27 C 1.73205 -1 0 0
M  V30 28 C 7.4634e-16 -1 0 0
M  V30 29 C -0.866025 -1.5 0 0
M  V30 30 C -1.73205 -1 0 0
M  V30 31 O -2.59808 -1.5 0 0
M  V30 32 C -1.73205 -1.94289e-15 0 0
M  V30 33 C -2.59808 0.5 0 0
M  V30 34 C -2.59808 1.5 0 0
M  V30 35 C -1.73205 2 0 0
M  V30 36 C -0.866025 1.5 0 0
M  V30 37 C -0.866025 0.5 0 0
M  V30 38 O 0 -0 0 0
M  V30 39 O -1.73205 3 0 0
M  V30 40 O -3.4641 -4.77396e-15 0 0
M  V30 41 O 3.4641 -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 15
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 19
M  V30 16 2 13 14
M  V30 17 1 14 15
M  V30 18 1 14 16
M  V30 19 2 16 17
M  V30 20 1 16 22
M  V30 21 1 17 18
M  V30 22 1 17 21
M  V30 23 2 18 19
M  V30 24 1 19 20
M  V30 25 1 22 27
M  V30 26 2 22 23
M  V30 27 1 23 24
M  V30 28 1 23 41
M  V30 29 2 24 25
M  V30 30 1 25 26
M  V30 31 2 26 27
M  V30 32 1 26 28
M  V30 33 1 28 38
M  V30 34 2 28 29
M  V30 35 1 29 30
M  V30 36 2 30 31
M  V30 37 1 30 32
M  V30 38 1 32 37
M  V30 39 2 32 33
M  V30 40 1 33 34
M  V30 41 1 33 40
M  V30 42 2 34 35
M  V30 43 1 35 36
M  V30 44 1 35 39
M  V30 45 2 36 37
M  V30 46 1 37 38
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
柄果花椒	Stalkedfruit Pricklyash	Zanthoxylum podocarpum
鸡毛松	Imbricate Podocarpus	Podocarpus imbricatus
罗汉松叶	Longleaf Podocarpus Leaf Equivalent plant: Podocar	Podocarpus macrophyllus
猫爪草	Catclaw Buttercup Root	Radix Ranunculi Terti
墨西哥落羽杉	Mexican Cypress	Taxodium mucronatum
天山竹子	Dulcin Garcinia	Garcinia dulcis

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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