Combretol (BioDeep_00000266266)

PANOMIX_OTCML-2023 natural product

代谢物信息卡片

5-Hydroxy-3,7-dimethoxy-2- (3,4,5-trimethoxyphenyl) -4H-1-benzopyran-4-one

化学式: C20H20O8 (388.115812)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 1.35%

分子结构信息

SMILES: c1(cc(c2c(c1)oc(c(c2=O)OC)c1cc(c(c(c1)OC)OC)OC)O)OC
InChI: InChI=1S/C20H20O8/c1-23-11-8-12(21)16-13(9-11)28-18(20(27-5)17(16)22)10-6-14(24-2)19(26-4)15(7-10)25-3/h6-9,21H,1-5H3

描述信息

Combretol is a pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3, 4 and 5 have been replaced by methoxy groups. It has been isolated from Combretum quadrangulare. It has a role as a metabolite, a plant metabolite and an antileishmanial agent. It is a pentamethoxyflavone and a monohydroxyflavone. It is functionally related to a myricetin.
Combretol is a natural product found in Aeonium lindleyi, Betula nigra, and Rhodomyrtus tomentosa with data available.
A pentamethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 7, 3, 4 and 5 have been replaced by methoxy groups. It has been isolated from Combretum quadrangulare.

同义名列表

14 个代谢物同义名

5-Hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one; 5-Hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one; 5-hydroxy-3,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one; Flavone, 5-hydroxy-3,3,4,5,7-pentamethoxy-; 5-Hydroxy-3,3,4,5,7-pentamethoxyflavone; 5-HYDROXY-3,3,4,5,7-PENTAMETHOXYFLAVONE; myricetin 3,7,3,4,5-pentamethyl ether; myricetin-3,7,3,4,5-pentamethylether; 3,7,3,4,5-Penta-O-methylmyricetin; 3,7,3,4,5-pentamethylmyricetin; UNII-2G3ZF4VTE5; 2G3ZF4VTE5; Combretol; 5-Hydroxy-3,7-dimethoxy-2- (3,4,5-trimethoxyphenyl) -4H-1-benzopyran-4-one

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:70005
PubChem: 12303802
Metlin: METLIN51206
ChEMBL: CHEMBL518300
Wikipedia: Combretol
LipidMAPS: LMPK12112794
ChemIDplus: 0005084195
MetaCyc: CPD-14945
KNApSAcK: C00004777
CAS: 5084-19-5
medchemexpress: HY-N7631
PMhub: MS000108540
Flavonoid: FL5FDKNS0004
MetaboLights: MTBLC70005
LOTUS: LTS0178960

分类词条

代谢反应

3 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(1)

polymethylated myricetin biosynthesis (tomato): 3',4',5'-trimethylmyricetin + SAM ⟶ 3,3',4',5'-tetramethylmyricetin + H⁺ + SAH

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(2)

polymethylated myricetin biosynthesis (tomato): 3,7,3',5'-tetramethylmyricetin + SAM ⟶ 3,7,3',4',5'-pentamethylmyricetin + H⁺ + SAH
polymethylated myricetin biosynthesis (tomato): 3-O-methylmyricetin + SAM ⟶ 3,7-dimethylmyricetin + H⁺ + SAH

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

23 个相关的物种来源信息

22994 - Aeonium: 10.1016/0031-9422(93)00074-P
22994 - Aeonium: 10.1055/S-0030-1250144
22994 - Aeonium: LTS0178960
111153 - Aeonium lindleyi: 10.1055/S-0030-1250144
111153 - Aeonium lindleyi: LTS0178960
3508 - Betula nigra: 10.1016/S0031-9422(00)86851-X
68530 - Bosistoa: LTS0178960
61133 - Cassipourea: LTS0178960
3954 - Combretaceae: LTS0178960
99434 - Combretum: LTS0178960
2998934 - Combretum quadrangulare: LTS0178960
3781 - Crassulaceae: LTS0178960
2759 - Eukaryota: LTS0178960
3398 - Magnoliopsida: LTS0178960
3931 - Myrtaceae: LTS0178960
40029 - Rhizophoraceae: LTS0178960
98582 - Rhodomyrtus: LTS0178960
98583 - Rhodomyrtus tomentosa: 10.1016/J.TET.2008.09.054
98583 - Rhodomyrtus tomentosa: LTS0178960
23513 - Rutaceae: LTS0178960
35493 - Streptophyta: LTS0178960
58023 - Tracheophyta: LTS0178960
33090 - Viridiplantae: LTS0178960

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

Li-Qin Wang, Ming-Mei Wu, Jing-Ping Liu, Yan Li, Yan Hua, Yuan-Yuan Wang, Xing-Yao Li, Ye-Gao Chen, Ji-hua Wang. Five new diarylpropan-1-ols from Combretum yunnanense. Planta medica. 2011 Nov; 77(16):1841-4. doi: 10.1055/s-0030-1271179. [PMID: 21674439]
V S Prakash Chaturvedula, Andrew Norris, James S Miller, Fidisoa Ratovoson, Rabodo Andriantsiferana, Vincent E Rasamison, David G I Kingston. Cytotoxic diterpenes from Cassipourea madagascariensis from the Madagascar rainforest. Journal of natural products. 2006 Feb; 69(2):287-9. doi: 10.1021/np050376w. [PMID: 16499334]
. . . . doi: . [PMID: 22711283]