15222-53-4 (9H-黄原-9-酮，1-羟基-3,6-二甲氧基-8-甲基-,9H-Xanthen-9-one,1-hydroxy-3,6-dimethoxy-8-methyl-)

快速询单

结构式：

9H-黄原-9-酮，1-羟基-3,6-二甲氧基-8-甲基-MOL文件

CAS号：

15222-53-4

中文名称：

9H-黄原-9-酮，1-羟基-3,6-二甲氧基-8-甲基-

英文名称：

9H-Xanthen-9-one,1-hydroxy-3,6-dimethoxy-8-methyl-

分子式：

C₁₆H₁₄O₅

分子量：

286.279365062714

植物源：

乳檀榛酸榄豆

9H-黄原-9-酮，1-羟基-3,6-二甲氧基-8-甲基-(15222-53-4)名称与标识符

名称

英文别名：

1-Hydroxy-3,6-dimethoxy-8-methyl-9H-xanthen-9-one;1-hydroxy-3,6-dimethoxy-8-methylxanthen-9-one;9H-Xanthen-9-one,1-hydroxy-3,6-dimethoxy-8-methyl-;1-hydroxy-3,6-dimethoxy-8-methyl-xanthen-9-one;1-hydroxy-3,6-dimethoxy-8-methylxanthone;AC1NSDCX;CHEBI:67821;CHEMBL470650;DivK1c_006167;lichenxanthone;Lichexanthone;lichixanthone;SpecPlus_000071;Spectrum5_001811;SureCN4272316;15222-53-4;NS00134237;9H-Xanthen-9-one, 1-hydroxy-3,6-dimethoxy-8-methyl- (9CI);9H-Xanthen-9-one, 1-hydroxy-3,6-dimethoxy-8-methyl-;NSC288657;KBio1_001111;NSC-288657;Xanthen-9-one,6-dimethoxy-8-methyl-;1-Hydroxy-3,6-dimethoxy-8-methyl-9H-xanthen-9-one #;QDLAGTHXVHQKRE-UHFFFAOYSA-N;NSC 288657;LICHEXANTHONE B804322K045;DTXSID80164977;9H-Xanthen-9-one,6-dimethoxy-8-methyl-;92O5D9Z07W;Xanthen-9-one, 1-hydroxy-3,6-dimethoxy-8-methyl-;SCHEMBL4272316;Q27136297;UNII-92O5D9Z07W;ConMedNP.1983;

标识符

InChIKey：

QDLAGTHXVHQKRE-UHFFFAOYSA-N

Inchi：

1S/C16H14O5/c1-8-4-9(19-2)6-12-14(8)16(18)15-11(17)5-10(20-3)7-13(15)21-12/h4-7,17H,1-3H3

SMILES：

O1C2C=C(C=C(C=2C(C2C(C)=CC(=CC1=2)OC)=O)O)OC

9H-黄原-9-酮，1-羟基-3,6-二甲氧基-8-甲基-(15222-53-4)物化性质

实验特性

PSA : 64.99

计算特性

精确分子量 : 286.08412
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 2
同位素质量 : 286.08412354g/mol
重原子数量 : 21
复杂度 : 398
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） : 3.5
拓扑分子极性表面积 : 65Å²

9H-黄原-9-酮，1-羟基-3,6-二甲氧基-8-甲基-(15222-53-4)相关文献

1. The uniqueness and therapeutic value of natural products from West African medicinal plants. Part I: uniqueness and chemotaxonomy
Fidele Ntie-Kang,Lydia L. Lifongo,Conrad V. Simoben,Smith B. Babiaka,Wolfgang Sippl,Luc Meva'a Mbaze RSC Adv. 2014 4 28728
2. Biogenetic-type synthesis of heptaketide natural products: alternariol and lichexanthone
J. V. Hay,T. M. Harris J. Chem. Soc. Chem. Commun. 1972 953b
3. Secondary metabolism in the lichen symbiosis
Mark J. Calcott,David F. Ackerley,Allison Knight,Robert A. Keyzers,Jeremy G. Owen Chem. Soc. Rev. 2018 47 1730
4. Thinking big about small beings – the (yet) underdeveloped microbial natural products chemistry in Brazil
Laura P. Ióca,Pierre-Marie Allard,Roberto G. S. Berlinck Nat. Prod. Rep. 2014 31 646
5. UV-protectant metabolites from lichens and their symbiotic partners
Khanh-Hung Nguyen,Marylène Chollet-Krugler,Nicolas Gouault,Sophie Tomasi Nat. Prod. Rep. 2013 30 1490
6. 894. Metabolic products of penicillium patulum
W. J. McMaster,A. I. Scott,S. Trippett J. Chem. Soc. 1960 4628
7. Parmeliaceae family: phytochemistry, pharmacological potential and phylogenetic features
M. Pilar Gómez-Serranillos,Carlos Fernández-Moriano,Elena González-Burgos,Pradeep Kumar Divakar,Ana Crespo RSC Adv. 2014 4 59017
8. Homonuclear 13C decoupling in 13C nuclear magnetic resonance studies of biosynthesis using doubly labelled precursors. Assembly pattern of the acetate units in bikaverin
A. Gavin McInnes,Donald G. Smith,John A. Walter,Leo C. Vining,Jeffrey L. C. Wright J. Chem. Soc. Chem. Commun. 1975 66
9. Subject index, 1972
J. Chem. Soc. Chem. Commun. 1972 1361
10. Depsidone synthesis. Part 21. A new synthesis of grisa-2′,5′-diene-3,4′-diones
Melvyn V. Sargent J. Chem. Soc. Perkin Trans. 1 1982 403

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