CAS号:644-30-4-Α-姜黄烯 - alpha-Curcumene-科华智慧

1. 主信息

英文名:	alpha-Curcumene
中文名:	Α-姜黄烯
CAS编号:	644-30-4
化学分子式：	C₁₅H₂₂
化学分子量：	202.33 g/mol
SMILES：	CC1=CC=C(C=C1)C(C)CCC=C(C)C
来源：	合成化合物
结构类型：	-
其它名称或标识：	(R)-isomer of alpha-curcumene (S)-isomer of alpha-curcumene 1-(1,5-dimethyl-4-hexenyl)-4-methylbenzene 2-methyl-6-p-tolyl-2-heptene alpha-curcumene

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	100mg	GC≥90%	4400	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 37 37 0 1 0 0 0 0 0999 V2000 0.1974 1.9666 0.0436 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2506 1.4651 -0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2343 0.8572 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7786 0.5254 0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 3.0166 -1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 0.6659 1.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.0688 -1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 0.1391 0.7327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 -0.3531 1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3192 -0.9503 -1.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 -1.1611 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 -0.9010 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1384 -2.2512 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1689 -1.2319 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -1.8562 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2288 2.4769 1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3451 0.9708 -1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9132 2.3408 -0.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 -0.3653 1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6989 1.0284 1.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 2.6194 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1309 3.8752 -0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5681 3.3880 -0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9085 1.2878 2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7517 0.2166 -1.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9334 0.8076 1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5869 -0.5089 2.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 -1.5749 -1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6961 -3.1796 0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -2.4283 -0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9973 -1.9928 0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4521 -1.2054 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 -0.5185 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3802 -2.2305 0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0781 -1.9602 -1.7149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8395 -2.8442 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 -1.5498 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 16 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 10 2 0 0 0 0 7 25 1 0 0 0 0 8 12 2 0 0 0 0 8 26 1 0 0 0 0 9 11 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

1-methyl-4-(6-methylhept-5-en-2-yl)benzene

4.2 InChl

InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3

4.3 InChlKey

VMYXUZSZMNBRCN-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=CC=C(C=C1)C(C)CCC=C(C)C

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
北五味子	Schisandrae Chinensis Fructus	-
广西莪术	rhizome of Kwangsi Turmeric	Rhizoma Curcumae
红豆蔻	Galanga Galangal Fruit	Fructus Galangae
姜黄	rhizome of Common Turmeric	Rhizoma Curcumae longae
流苏石斛	Eyeshaped Dendrobium	Dendrobium fimbriatum var. oculatum
南沙参	Fourleaf Ladybell Root	Radix Adenophorae
女贞子	fruit of Glossy privet	Fructus Ligustri lucidi
山茱萸	Asiatic Cornelian Cherry Fruit	Fructus Corni
蛇床子	Common Cnidium Fruit	Fructus Cnidii
生姜	Fresh Ginger	Rhizoma Zingiberis Recens

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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