CAS号:18916-17-1-柚皮苷二氢查尔酮 - Naringin dihydrochalcone-科华智慧

1. 主信息

英文名:	Naringin dihydrochalcone
中文名:	柚皮苷二氢查尔酮
CAS编号:	18916-17-1
化学分子式：	C₂₇H₃₄O₁₄
化学分子量：	582.5 g/mol
SMILES：	CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=C(C=C4)O)O)CO)O)O)O)O)O
来源：	柚
结构类型：	查耳酮类/二氢查耳酮类
其它名称或标识：	4',5,7-trihydroxyflavanone 7-rhamnoglucoside aurantiin Cyclorel naringenin-7-hesperidoside naringin

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%	144	点击购买	2-8℃	现货	-
科华智慧	1g	98%	32	点击购买	2-8℃	现货	-
科华智慧	5g	98%	84	点击购买	2-8℃	现货	-
科华智慧	25g	98%	232	点击购买	2-8℃	现货	-
科华智慧	100g	98%	736	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 75 78 0 1 0 0 0 0 0999 V2000 3.4107 0.9065 -0.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1591 -2.6698 0.1697 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9932 2.3038 1.2924 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0406 -0.1572 -1.3307 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0091 -0.8889 1.1443 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7713 -2.8323 -2.3923 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2652 4.0292 -0.6221 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8712 5.0676 -1.5893 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2211 4.6613 0.7037 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9418 -5.3317 -0.4809 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3691 0.3731 2.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7387 -3.5350 -0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9844 -2.8909 1.6859 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1825 2.6259 -2.0259 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9095 -0.3932 -0.2197 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8092 -0.8808 -1.3553 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1315 -2.3678 -1.2065 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2804 1.9277 -0.0588 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2056 3.1417 -0.9832 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7167 -1.3272 -0.0152 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8555 -3.1790 -0.9690 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8588 3.8530 -0.8428 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5552 4.1659 0.6230 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7038 2.8976 1.4748 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1625 -4.6489 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 3.1891 2.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6606 -1.1187 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 -2.2195 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1855 -0.2521 1.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5603 -0.4864 1.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2431 -2.4537 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0892 -1.5871 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 -1.8314 1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4897 -0.7739 0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7586 -1.3755 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6712 -0.3104 -0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6450 0.2644 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5413 0.1016 -1.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4888 1.2513 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3852 1.0883 -2.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3589 1.6632 -1.5286 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 -0.3548 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -0.6723 -2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8350 -2.5122 -0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3207 1.5955 -0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3590 2.8550 -2.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -1.2538 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1866 -3.1258 -1.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 3.2308 -1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2221 4.9593 0.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 2.1665 1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7744 -4.7615 0.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6769 -5.1129 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6833 2.2699 3.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5711 3.6100 3.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 3.8884 3.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4907 -0.3546 -0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1501 -2.7206 -3.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 3.5679 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0736 4.8408 -2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6188 3.9527 0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 -6.2632 -0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7499 -2.9334 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2347 0.6026 2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9558 -0.1902 -0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7538 -0.0947 1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 1.0735 2.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7053 -3.5728 -0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -1.9666 0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4930 -2.0862 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7544 -0.0469 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7850 -0.3376 -2.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2431 1.6916 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2789 1.4054 -3.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7934 2.9108 -1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 16 1 0 0 0 0 4 57 1 0 0 0 0 5 20 1 0 0 0 0 5 27 1 0 0 0 0 6 17 1 0 0 0 0 6 58 1 0 0 0 0 7 19 1 0 0 0 0 7 59 1 0 0 0 0 8 22 1 0 0 0 0 8 60 1 0 0 0 0 9 23 1 0 0 0 0 9 61 1 0 0 0 0 10 25 1 0 0 0 0 10 62 1 0 0 0 0 11 30 1 0 0 0 0 11 67 1 0 0 0 0 12 31 1 0 0 0 0 12 68 1 0 0 0 0 13 33 2 0 0 0 0 14 41 1 0 0 0 0 14 75 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 25 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 31 1 0 0 0 0 28 63 1 0 0 0 0 29 30 2 0 0 0 0 29 64 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 35 36 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 38 40 2 0 0 0 0 38 72 1 0 0 0 0 39 41 2 0 0 0 0 39 73 1 0 0 0 0 40 41 1 0 0 0 0 40 74 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one

4.2 InChl

InChI=1S/C27H34O14/c1-11-20(33)22(35)24(37)26(38-11)41-25-23(36)21(34)18(10-28)40-27(25)39-14-8-16(31)19(17(32)9-14)15(30)7-4-12-2-5-13(29)6-3-12/h2-3,5-6,8-9,11,18,20-29,31-37H,4,7,10H2,1H3/t11-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1

4.3 InChlKey

CWBZAESOUBENAP-QVNVHUMTSA-N

4.4 Canonical SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=C(C=C4)O)O)CO)O)O)O)O)O

4.5 lsomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=C(C=C4)O)O)CO)O)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 41 44 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.4641 3 0 0
M  V30 2 C 4.33013 3.5 0 0
M  V30 3 C 4.33013 4.5 0 0
M  V30 4 C 5.19615 5 0 0
M  V30 5 C 6.06218 4.5 0 0
M  V30 6 C 6.06218 3.5 0 0
M  V30 7 O 5.19615 3 0 0
M  V30 8 O 6.9282 3 0 0
M  V30 9 C 6.9282 2 0 0
M  V30 10 C 7.79423 1.5 0 0
M  V30 11 C 7.79423 0.5 0 0
M  V30 12 C 6.9282 -3.55271e-15 0 0
M  V30 13 O 6.06218 0.5 0 0
M  V30 14 C 6.06218 1.5 0 0
M  V30 15 O 5.19615 2 0 0
M  V30 16 C 4.33013 1.5 0 0
M  V30 17 C 4.33013 0.5 0 0
M  V30 18 C 3.4641 -1.33227e-15 0 0
M  V30 19 C 2.59808 0.5 0 0
M  V30 20 C 2.59808 1.5 0 0
M  V30 21 C 3.4641 2 0 0
M  V30 22 O 1.73205 2 0 0
M  V30 23 C 1.73205 -6.66134e-16 0 0
M  V30 24 O 0.866025 0.5 0 0
M  V30 25 C 1.73205 -1 0 0
M  V30 26 C 0.866025 -1.5 0 0
M  V30 27 C 4.44089e-16 -1 0 0
M  V30 28 C -0.866025 -1.5 0 0
M  V30 29 C -1.73205 -1 0 0
M  V30 30 C -1.73205 1.11022e-16 0 0
M  V30 31 C -0.866025 0.5 0 0
M  V30 32 C 0 0 0 0
M  V30 33 O -2.59808 0.5 0 0
M  V30 34 O 3.4641 -1 0 0
M  V30 35 C 6.9282 -1 0 0
M  V30 36 O 7.79423 -1.5 0 0
M  V30 37 O 8.66025 -5.77316e-15 0 0
M  V30 38 O 8.66025 2 0 0
M  V30 39 O 6.9282 5 0 0
M  V30 40 O 5.19615 6 0 0
M  V30 41 O 3.4641 5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 7
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 3 41
M  V30 6 1 4 5
M  V30 7 1 4 40
M  V30 8 1 5 6
M  V30 9 1 5 39
M  V30 10 1 6 7
M  V30 11 1 6 8
M  V30 12 1 8 9
M  V30 13 1 9 14
M  V30 14 1 9 10
M  V30 15 1 10 11
M  V30 16 1 10 38
M  V30 17 1 11 12
M  V30 18 1 11 37
M  V30 19 1 12 13
M  V30 20 1 12 35
M  V30 21 1 13 14
M  V30 22 1 14 15
M  V30 23 1 15 16
M  V30 24 1 16 21
M  V30 25 2 16 17
M  V30 26 1 17 18
M  V30 27 2 18 19
M  V30 28 1 18 34
M  V30 29 1 19 20
M  V30 30 1 19 23
M  V30 31 2 20 21
M  V30 32 1 20 22
M  V30 33 2 23 24
M  V30 34 1 23 25
M  V30 35 1 25 26
M  V30 36 1 26 27
M  V30 37 1 27 32
M  V30 38 2 27 28
M  V30 39 1 28 29
M  V30 40 2 29 30
M  V30 41 1 30 31
M  V30 42 1 30 33
M  V30 43 2 31 32
M  V30 44 1 35 36
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

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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