13161-79-0 (7H-吡喃并[2,3-c]吖啶-7-酮，3,12-二氢-6-羟基-3,3,12-三甲基-,7H-Pyrano[2,3-c]acridin-7-one,3,12-dihydro-6-hydroxy-3,3,12-trimethyl-)

快速询单

结构式：

7H-吡喃并[2,3-c]吖啶-7-酮，3,12-二氢-6-羟基-3,3,12-三甲基-MOL文件

CAS号：

13161-79-0

中文名称：

7H-吡喃并[2,3-c]吖啶-7-酮，3,12-二氢-6-羟基-3,3,12-三甲基-

英文名称：

7H-Pyrano[2,3-c]acridin-7-one,3,12-dihydro-6-hydroxy-3,3,12-trimethyl-

分子式：

C₁₉H₁₇NO₃

分子量：

307.343185186386

植物源：

臭节草臭节草

7H-吡喃并[2,3-c]吖啶-7-酮，3,12-二氢-6-羟基-3,3,12-三甲基-(13161-79-0)名称与标识符

名称

英文别名：

7H-Pyrano[2,3-c]acridin-7-one,3,12-dihydro-6-hydroxy-3,3,12-trimethyl-;6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one;noracronycine;6-desmethoxyacronycine;6-Hydroxy-3,3,12-trimethyl-3,12-dihydro-pyrano[2,3-c]acridin-7-on;6-hydroxy-3,3,12-trimethyl-3,12-dihydro-pyrano[2,3-c]acridin-7-one;AC1NSZ69;CHEMBL509922;NCI60_000082;noracronine;NSC103005;SureCN7475179;3,3,12-Trimethyl-6-hydroxy-3H-pyrano[2,3-c]acridine-7(12H)-one;3,12-Dihydro-6-hydroxy-3,3,12-trimethyl-7H-pyrano[2,3-c]acridin-7-one;13161-79-0;3,12-Dihydro-6-hydroxy-3,3,12-trimethyl-7H-pyrano(2,3-c)acridin-7- -one;NSC-103005;6-NORACRONINE;DTXSID50157139;6-hydroxy-3,3,12-trimethyl-3,12-dihydro-7h-pyrano[2,3-c]acridin-7-one;NSC 103005;SCHEMBL7475179;3,12-Dihydro-6-hydroxy-3,3,12-trimethyl-7H-pyrano(2,3-c)acridin-7-one;7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6-hydroxy-3,3,12-trimethyl-;6-hydroxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one;UNII-O4TQA37UF4;NORACRONYCIN;O4TQA37UF4;O-DEMETHYLACRONYCINE;CHEBI:201861;6-NORACRONYCINE;

标识符

InChIKey：

CBXBWBNEFPNSDO-UHFFFAOYSA-N

Inchi：

1S/C19H17NO3/c1-19(2)9-8-12-15(23-19)10-14(21)16-17(12)20(3)13-7-5-4-6-11(13)18(16)22/h4-10,21H,1-3H3

SMILES：

O1C2C=C(C3C(C4C=CC=CC=4N(C)C=3C=2C=CC1(C)C)=O)O

7H-吡喃并[2,3-c]吖啶-7-酮，3,12-二氢-6-羟基-3,3,12-三甲基-(13161-79-0)物化性质

实验特性

LogP : 3.58150
PSA : 49.77

计算特性

精确分子量 : 307.12091
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 : 307.12084340g/mol
重原子数量 : 23
复杂度 : 529
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 : 0
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） : 3.9
拓扑分子极性表面积 : 49.8Å²

7H-吡喃并[2,3-c]吖啶-7-酮，3,12-二氢-6-羟基-3,3,12-三甲基-(13161-79-0)相关文献

1. Reaction of noracronycine and 1-hydroxy-3-methoxy-10-methylacridone with alkyl- and aryl-lithiums: formation of quinone methides
Catherine Jolivet,Christian Rivalle,Emile Bisagni J. Chem. Soc. Perkin Trans. 1 1995 511
2. Quinoline, quinazoline, and acridone alkaloids
M. F. Grundon Nat. Prod. Rep. 1985 2 393
3. Reaction of ortho-lithiated protected anilines with o-hydroxycarbonyl compounds: formation of quino- and pyranoquino-acridines
Catherine Jolivet,Christian Rivalle,Christiane Huel,Emile Bisagni J. Chem. Soc. Perkin Trans. 1 1995 2333
4. Quinoline, quinazoline, and acridone alkaloids
M. F. Grundon Nat. Prod. Rep. 1988 5 293
5. Acridone alkaloids. Part 9. Chemical constituents of Glycosmis citrifolia(Willd.) Lindl. Structures of novel linear pyranoacridones, furoacridones, and other new acridone alkaloids
Tian-Shung Wu,Hiroshi Furukawa,Chang-Sheng Kuoh,Kuo-Shih Hsu J. Chem. Soc. Perkin Trans. 1 1983 1681
6. Quinoline, quinazoline, and acridone alkaloids
M. F. Grundon Nat. Prod. Rep. 1987 4 225
7. Quinoline, quinazoline, and acridone alkaloids
J. P. Michael Nat. Prod. Rep. 1995 12 77
8. O-Directed C–H functionalization via cobaltacycles: a sustainable approach for C–C and C–heteroatom bond formations
Shyam Kumar Banjare,Tanmayee Nanda,Bedadyuti Vedvyas Pati,Pragati Biswal,Ponneri Chandrababu Ravikumar Chem. Commun. 2021 57 3630
9. Quinoline, quinazoline, and acridone alkaloids
M. F. Grundon Nat. Prod. Rep. 1984 1 195
10. Syntheses of acridone and carbazole alkaloids involving pyridine-catalysed chromen formation: crystal and molecular structure of dibromocannibicyclol and its bearing on the structures of the ‘cyclol’ alkaloids
Wikramasinghe M. Bandaranayake,Michael J. Begley,Brian O. Brown,David G. Clarke,Leslie Crombie,Donald A. Whiting J. Chem. Soc. Perkin Trans. 1 1974 998

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