22150-86-3 (（+-）-普卡坦,(+-)-Pukatein)

快速询单

结构式：

（+-）-普卡坦MOL文件

CAS号：

22150-86-3

中文名称：

（+-）-普卡坦

英文名称：

(+-)-Pukatein

分子式：

C₁₈H₁₇NO₃

分子量：

295.332484960556

（+-）-普卡坦(22150-86-3)名称与标识符

名称

英文别名：

(+-)-Pukatein;(+-)-pukateine;(R)-(-)-pukateine;(R)-7-methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinolin-12-ol;(R)-Pukateine;1,2-(methylenedioxy)-6abeta-aporphin-11-ol;6-Methyl-1,2-methylendioxy-6abeta-aporphan-11-ol;6-Methyl-1,2-methylendioxy-aporphan-11-ol;6-methyl-1,2-methylenedioxy-6abeta-aporphan-11-ol;6-methyl-1,2-methylenedioxy-aporphan-11-ol;7-methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]quinolin-12-ol;N-Methylobovanine;Pukatein;pukateine;Q6593308;8V36S7J6BB;Pukateine DL-form;UNII-8V36S7J6BB;7-methyl-6,7,7a,8-tetrahydro-5H-benzo[g][1,3]dioxolo[4'',5'':4,5]benzo[1,2,3-de]quinolin-12-ol;(+/-)-Pukateine;7-Methyl-6,7,7a,8-tetrahydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]benzo[g]quinolin-12-ol;BDBM50202309;CHEMBL258370;Pukateine, (+/-)-;Pukateine DL-form [MI];22150-86-3;5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinolin-12-ol, 6,7,7a,8-tetrahydro-7-methyl-;

标识符

InChIKey：

IKMXUUHNYQWZBC-UHFFFAOYSA-N

Inchi：

1S/C18H17NO3/c1-19-6-5-11-8-14-18(22-9-21-14)17-15(11)12(19)7-10-3-2-4-13(20)16(10)17/h2-4,8,12,20H,5-7,9H2,1H3

SMILES：

O1COC2=CC3CCN(C)C4CC5C=CC=C(C=5C(=C12)C4=3)O

（+-）-普卡坦(22150-86-3)物化性质

计算特性

精确分子量 : 295.12084340g/mol
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 0
同位素质量 : 295.12084340g/mol
重原子数量 : 22
复杂度 : 444
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 2.9
拓扑分子极性表面积 : 41.9Å²

（+-）-普卡坦(22150-86-3)相关文献

1. CXXVII.—The alkaloids of the Pukatea
Bernard Cracroft Aston J. Chem. Soc. Trans. 1910 97 1381
2. Studies on the syntheses of heterocyclic compounds. Part CDLXII. Total photolytic syntheses of aporphine [(±)-N-methyl-laurotetanine, (±)-cassythicine, and (±)-pukateine], proaporphine [(±)-orientalinone], and morphinandienone [(±)-pallidine and (±)-salutaridine] alkaloids
T. Kametani,K. Fukumoto,S. Shibuya,H. Nemoto,T. Nakano,T. Sugahara,T. Takahashi,Y. Aizawa,M. Toriyama J. Chem. Soc. Perkin Trans. 1 1972 1435
3. CCCLXVII.—The absorption spectra of phenanthripyridine alkaloids
André Girardet J. Chem. Soc. 1931 2630
4. Natural product modulators of human sensations and mood: molecular mechanisms and therapeutic potential
Tomá? Pluskal,Jing-Ke Weng Chem. Soc. Rev. 2018 47 1592
5. 211. The alkaloids of Artabotrys suaveolens
George Barger,Lewis J. Sargent J. Chem. Soc. 1939 991
6. Index of subjects, 1972
J. Chem. Soc. Perkin Trans. 1 1972 3063
7. Obituary notices: George Barger, 1878–1939; Edward Richards Bolton, 1879–1939; John Thomas Dunn, 1859–1939; William Setten Gilles, 1876–1938; Francis Wood Hardy, 1892–1939; William Edward Kay, 1855–1938; Arthur William Knapp, 1881–1939; Cyril Alec Lawrence, 1912–1938; Alfred Courtenay Luck, 1866–1938; Stevenson John Charles George Macadam, 1865–1939; Kendall Morgan Madigan, 1909–1938; Emile Mond, 1865–1938; Charles Edward Munroe, 1849–1938; Hubert Naylor Bardsley Richardson, 1865–1938; Harcourt Henry Benjamin Shepherd, 1854–1939; Thomas Stevenson, 1864–1938; Alfred Edwin Howard Tutton, 1864–1938; Dennis Tyrrell, 1866–1938
C. R. Harington,Bernard Dyer,H. Charles L. Bloxam,F. F. Renwick,G. W. Kendall,F. O. Ashmore,J. R. Johnson,J. W. Cook,C. H. Desch,George Z. Dupain,Emile Bucher,Charles S. Gibson,R. V. Wheeler,J. R. E. Richardson,A. Lauder,W. A. N. Tyrrell J. Chem. Soc. 1939 715
8. Organic chemistry
E. H. Farmer,G. M. Bennett,J. W. Baker,S. G. P. Plant Annu. Rep. Prog. Chem. 1931 28 66
9. Aporphinoids alkaloids
M. Shamma,H. Guinaudeau Nat. Prod. Rep. 1985 2 227
10. Index pages
Analyst 1937 62 A001