CAS号:56365-38-9-茵陈色原酮 - Capillarisin-科华智慧

1. 主信息

英文名:	Capillarisin
中文名:	茵陈色原酮
CAS编号:	56365-38-9
化学分子式：	C₁₆H₁₂O₇
化学分子量：	316.26 g/mol
SMILES：	COC1=C(C2=C(C=C1O)OC(=CC2=O)OC3=CC=C(C=C3)O)O
来源：	-
结构类型：	-
其它名称或标识：	capillarisin capillarisine

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≥95%	3200	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 35 37 0 0 0 0 0 0 0999 V2000 -0.5461 0.2399 0.0311 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 1.9096 -0.0778 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 -1.3952 0.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1827 1.2774 0.1222 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6671 -3.2400 0.2515 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3161 3.1357 -0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7867 -2.2863 -0.0184 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8137 0.8147 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7775 -0.1172 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1445 0.3936 0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4314 -0.9706 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 -1.4806 0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4782 2.2445 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3955 -1.9058 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8715 1.5869 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0402 2.5716 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 0.8702 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5805 0.3877 1.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 0.2969 -1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4848 -0.6741 1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4185 -0.7648 -1.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9040 -1.2503 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 -1.6435 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -2.2108 0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 3.6162 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0160 0.7867 0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2589 0.8327 2.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1403 0.6711 -2.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6294 -3.3567 0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8595 -1.0480 2.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -1.2047 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4109 -0.7340 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8646 -2.4398 -1.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 -1.9648 -0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9655 -2.5606 -0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 11 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 14 1 0 0 0 0 5 29 1 0 0 0 0 6 13 2 0 0 0 0 7 22 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 16 1 0 0 0 0 15 16 2 0 0 0 0 16 25 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 30 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 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-hydroxyphenoxy)-6-methoxychromen-4-one

4.2 InChl

InChI=1S/C16H12O7/c1-21-16-11(19)6-12-14(15(16)20)10(18)7-13(23-12)22-9-4-2-8(17)3-5-9/h2-7,17,19-20H,1H3

4.3 InChlKey

NTKNGUAZSFAKEE-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C2=C(C=C1O)OC(=CC2=O)OC3=CC=C(C=C3)O)O

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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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
陈蒿	Capillaris, Oriental wormwood	Herba Artemisiae Scopariae
黄蒿	Virg ate Wormwood	Artemisia scoparia [Syn. Artemisia capillaris var.
沙棘	fruit of seabuckthorn	fructus hippophae
山茱萸	Asiatic Cornelian Cherry Fruit	Fructus Corni
鼠曲草	Gphalii Affinis Herba	-
茵陈	Virgate Wormwood Herb	Herba Artemisiae Scopariae
茵陈蒿	Capillary Wormwood Equivalent plant: Artemisia sco	Artemisia capillaris
郁金	Tuber - root of Common Turmeric	Radix Curcumae
禹粮石	Limonite	Limonitum

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7. 相关靶点

基因靶点	靶点位置	参考文献
CCNA2	4q27	29271007
CCND1	11q13.3	29271007
DCTN6	8p12	29271007
H3P16	4q31.1	29271007
MMP2	16q12.2	29271007
MMP9	20q13.12	29271007
STAT3	17q21.2	24333736
STAT3	17q21.2	29271007

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8. 相关疾病

疾病名称	疾病类型	参考文献
Multiple Myeloma	disease	24333736
Neoplasm Invasiveness	phenotype	29271007
Prostatic Neoplasms	group	29271007

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