CAS号:548-82-3-短叶松素 - Pinobanksin-科华智慧

1. 主信息

英文名:	Pinobanksin
中文名:	短叶松素
CAS编号:	548-82-3
化学分子式：	C₁₅H₁₂O₅
化学分子量：	272.25 g/mol
SMILES：	C1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O
来源：	-
结构类型：	黄酮醇类/二氢黄酮醇类
其它名称或标识：	2,3-dihydro-3,5,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one 3,5,7-trihydroxy-flavanone 3,5,7-trihydroxyflavanone pinobanksin

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%	1600	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 32 34 0 1 0 0 0 0 0999 V2000 -0.1742 -0.9582 -0.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 2.5394 0.0134 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3495 2.8479 -0.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 1.8904 -0.0881 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1733 -2.8269 0.2247 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 0.1784 0.3777 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5824 1.4198 -0.4331 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8861 1.7137 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7568 0.5318 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 -0.1952 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1767 -0.7365 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1461 0.6772 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9922 -1.8663 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3857 0.3357 1.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7842 -1.0687 -0.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9550 -0.4551 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 -1.7245 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7264 -0.0083 0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -1.4125 -1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -0.8823 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7904 0.3453 1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 1.2748 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5413 -2.8549 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1107 1.0170 1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0511 -1.4844 -1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1178 3.2844 -0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0369 -0.3500 0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4825 0.4046 1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4137 -2.0902 -1.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1401 -1.1493 -0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 2.6027 -0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6102 -3.6196 0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 26 1 0 0 0 0 3 8 2 0 0 0 0 4 12 1 0 0 0 0 4 31 1 0 0 0 0 5 17 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 9 11 1 0 0 0 0 9 12 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 13 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 19 2 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 18 20 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3R)-3,5,7-trihydroxy-2-phenyl-2,3-dihydrochromen-4-one

4.2 InChl

InChI=1S/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H/t14-,15+/m0/s1

4.3 InChlKey

SUYJZKRQHBQNCA-LSDHHAIUSA-N

4.4 Canonical SMILES

C1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O

4.5 lsomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 22 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 3.4641 1 0 0
M  V30 2 C 3.4641 -8.88178e-16 0 0
M  V30 3 C 2.59808 -0.5 0 0
M  V30 4 C 1.73205 -7.77156e-16 0 0
M  V30 5 C 1.73205 1 0 0
M  V30 6 C 2.59808 1.5 0 0
M  V30 7 C 0.866025 -0.5 0 0
M  V30 8 C 0.866025 -1.5 0 0
M  V30 9 C 3.33067e-16 -2 0 0
M  V30 10 O 2.22045e-16 -3 0 0
M  V30 11 C -0.866025 -1.5 0 0
M  V30 12 C -1.73205 -2 0 0
M  V30 13 C -2.59808 -1.5 0 0
M  V30 14 C -2.59808 -0.5 0 0
M  V30 15 C -1.73205 -2.22045e-16 0 0
M  V30 16 C -0.866025 -0.5 0 0
M  V30 17 O 0 -0 0 0
M  V30 18 O -3.4641 2.22045e-16 0 0
M  V30 19 O -1.73205 -3 0 0
M  V30 20 O 1.73205 -2 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 1 4 7
M  V30 7 2 5 6
M  V30 8 1 7 17
M  V30 9 1 7 8
M  V30 10 1 8 9
M  V30 11 1 8 20
M  V30 12 2 9 10
M  V30 13 1 9 11
M  V30 14 1 11 16
M  V30 15 2 11 12
M  V30 16 1 12 13
M  V30 17 1 12 19
M  V30 18 2 13 14
M  V30 19 1 14 15
M  V30 20 1 14 18
M  V30 21 2 15 16
M  V30 22 1 16 17
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
伯乐树	Chinese Bretschneidera	Bretschneidera sinensis
蜂胶	Propolis	Apis mellifera ligustica
红豆蔻	Galanga Galangal Fruit	Fructus Galangae
密花石豆兰	Flowery Stonebean-orchis	Bulbophyllum odoratissimum [Syn. Stelis odoratissi

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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