Filicin (BioDeep_00000008260)

Volatile Flavor Compounds natural product

代谢物信息卡片

4-[[3-[[2,6-dihydroxy-3,3-dimethyl-4-oxo-5-(1-oxobutyl)-1-cyclohexa-1,5-dienyl]methyl]-2,4,6-trihydroxy-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(1-oxobutyl)-1-cyclohexa-2,4-dienone

化学式: C36H44O12 (668.2832624)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1(=C(C(=O)C(=C(C1(C)C)O)Cc1c(c(c(c(c1O)C(=O)CCC)O)CC1=C(C(C(=C(C1=O)C(=O)CCC)O)(C)C)O)O)C(=O)CCC)O
InChI: InChI=1S/C36H44O12/c1-8-11-20(37)23-27(41)16(14-18-29(43)24(21(38)12-9-2)33(47)35(4,5)31(18)45)26(40)17(28(23)42)15-19-30(44)25(22(39)13-10-3)34(48)36(6,7)32(19)46/h40-46H,8-15H2,1-7H3

描述信息

同义名列表

18 个代谢物同义名

Filixic acid BBB; Filicin; 4-[[3-[[2,6-dihydroxy-3,3-dimethyl-4-oxo-5-(1-oxobutyl)-1-cyclohexa-1,5-dienyl]methyl]-2,4,6-trihydroxy-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(1-oxobutyl)-1-cyclohexa-2,4-dienone; 2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxo-1-cyclohexa-1,5-dienyl)methyl]-2,4,6-trihydroxy-phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one; 2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxo-1-cyclohexa-1,5-dienyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one; 2-butyryl-4-[3-butyryl-5-[(5-butyryl-2,6-dihydroxy-4-keto-3,3-dimethyl-1-cyclohexa-1,5-dienyl)methyl]-2,4,6-trihydroxy-benzyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one; 2,5-Cyclohexadien-1-one, 2,2-((2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene)bis(methylene))bis(3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-; 2,2-((2,4,6-Trihydroxy-5-(1-oxobutyl)-1,3-phenylene)bis(methylene))bis(3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)cyclohexa-2,5-dien-1-one; Butyrophenone, 3,5-bis((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2,4,6-trihydroxy-; Phlorobutyrophenone, 3,5-bis(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-; Filixsaeure [German]; EINECS 224-766-2; Filixic acid; 11041-32-0; 4482-83-1; 1391-56-6; C10693; Filicin

数据库引用编号

14 个数据库交叉引用编号

ChEBI: CHEBI:5060
KEGG: C10693
PubChem: 197044
Metlin: METLIN68501
KNApSAcK: C00002696
CAS: 4482-83-1
PMhub: MS000021843
PubChem: 12876
3DMET: B04067
NIKKAJI: J53.974K
KNApSAcK: 5060
LOTUS: LTS0060460
LOTUS: LTS0088965
wikidata: Q27106633

分类词条

Acyl phloroglucinols

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

20 个相关的物种来源信息

29607 - Dryopteridaceae: LTS0060460
3287 - Dryopteris: 10.1016/0031-9422(91)83198-T
3287 - Dryopteris: LTS0060460
239547 - Dryopteris affinis: 10.1016/S0031-6989(88)80858-0
3289 - Dryopteris filix-mas: 10.1016/S0031-6989(88)80858-0
3289 - Dryopteris filix-mas: LTS0060460
2759 - Eukaryota: LTS0060460
629714 - Hypericaceae: LTS0060460
55962 - Hypericum: LTS0060460
282542 - Hypericum japonicum:
282542 - Hypericum japonicum: 10.1055/S-2006-960955
282542 - Hypericum japonicum: 10.1055/S-2007-969154
282542 - Hypericum japonicum: LTS0060460
3398 - Magnoliopsida: LTS0060460
241806 - Polypodiopsida: LTS0060460
35493 - Streptophyta: LTS0060460
58023 - Tracheophyta: LTS0060460
33090 - Viridiplantae: LTS0060460
33090 - 地耳草: -
33090 - 贯众: -

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

文献列表

G J Kapadia, H Tokuda, T Konoshima, M Takasaki, J Takayasu, H Nishino. Anti-tumor promoting activity of Dryopteris phlorophenone derivatives. Cancer letters. 1996 Aug; 105(2):161-5. doi: 10.1016/0304-3835(96)04275-9. [PMID: 8697439]