569325-85-5

快速询单

结构式：

569325-85-5MOL文件

CAS号：

569325-85-5

分子式：

C₁₈H₁₈O₄

分子量：

298.333125591278

569325-85-5(569325-85-5)名称与标识符

标识符

InChIKey：

WWYKTTKHXLXWAU-PKNBQFBNSA-N

Inchi：

1S/C18H18O4/c1-20-16-12-10-14(17(21-2)18(16)22-3)9-11-15(19)13-7-5-4-6-8-13/h4-12H,1-3H3/b11-9+

SMILES：

O(C)C1C(=C(C=CC=1/C=C/C(C1C=CC=CC=1)=O)OC)OC

569325-85-5(569325-85-5)物化性质

计算特性

精确分子量 : 298.12050905g/mol
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 6
同位素质量 : 298.12050905g/mol
重原子数量 : 22
复杂度 : 373
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 : 1
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） : 3.6
拓扑分子极性表面积 : 44.8Å²

569325-85-5(569325-85-5)相关文献

1. Flavonoids and their glycosides, including anthocyanins
Nigel C. Veitch,Renée J. Grayer Nat. Prod. Rep. 2011 28 1626
2. The stereochemistry of 2-α-hydroxybenzyl-2,4,6-trimethoxycoumaran-3-one. Mechanism of the algar–flynn–oyamada reaction
B. A. Brady,W. I. O'Sullivan,E. M. Philbin J. Chem. Soc. D 1970 1435
3. Anthocyanins and other flavonoids
Christine A. Williams,Renée J. Grayer Nat. Prod. Rep. 2004 21 539
4. Some novel photochemical and related aryl couplings and migrations in flavonoid synthesis
Jan H. van der Westhuizen,Daneel Ferreira,David G. Roux J. Chem. Soc. Perkin Trans. 1 1980 2856
5. Synthesis of linderone and methyl-inderone
H. H. Lee,C. H. Tan J. Chem. Soc. C 1967 1583
6. Design, synthesis and biological evaluation of imidazopyridine/pyrimidine-chalcone derivatives as potential anticancer agents
Ahmed Kamal,J. Surendranadha Reddy,M. Janaki Ramaiah,D. Dastagiri,E. Vijaya Bharathi,M. Victor Prem Sagar,S. N. C. V. L. Pushpavalli,Paramita Ray,Manika Pal-Bhadra Med. Chem. Commun. 2010 1 355
7. Kinetics and mechanism of the cyclisation of 2′,6′-dihydroxychalcone and derivatives
Christopher O. Miles,Lyndsay Main J. Chem. Soc. Perkin Trans. 2 1989 1623
8. Foeniculum vulgare seed extract exerts anti-cancer effects on hepatocellular carcinoma
Weiwei Ke,Hongbo Wang,Xiangxuan Zhao,Zaiming Lu Food Funct. 2021 12 1482
9. 227. The chemistry of extractives from hardwoods. Part XXXIII. Extractives from Melanorrhea spp. (rengas)
F. E. King,T. J. King,D. W. Rustidge J. Chem. Soc. 1962 1192
10. An overview of chemical constituents from Alpinia species in the last six decades
Xiao-Ni Ma,Chun-Lan Xie,Zi Miao,Quan Yang,Xian-Wen Yang RSC Adv. 2017 7 14114

569325-85-5

569325-85-5(569325-85-5)名称与标识符

标识符

569325-85-5(569325-85-5)物化性质

计算特性

569325-85-5(569325-85-5)相关文献

目录