Combretum caffrum (BioDeep_00000000849)
Secondary id: BioDeep_00000264850
PANOMIX_OTCML-2023
代谢物信息卡片
化学式: C17H12O8 (344.0532)
中文名称: 2,3,8-三-O-甲基鞣花酸, 2,3,8-TRI-O-METHYLELLAGIC ACID
谱图信息:
最多检出来源 Chinese Herbal Medicine(otcml) 66.84%
分子结构信息
SMILES: COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)O)C(=O)O2)OC
InChI: InChI=1S/C17H12O8/c1-21-9-5-7-11-10-6(16(19)25-15(11)13(9)23-3)4-8(18)12(22-2)14(10)24-17(7)20/h4-5,18H,1-3H3
描述信息
3,4,3-Tri-O-methylellagic acid is a tannin.
2,3,8-Tri-O-methylellagic acid is a natural product found in Lagerstroemia speciosa, Cercidiphyllum japonicum, and other organisms with data available.
同义名列表
21 个代谢物同义名
3,3,4-Tri-O-methylellagic acid; 3,3,4-Trimethoxyellagic acid; 3,4,3-Tri-O-methylellagic acid; Ellagic acid 3,3,4-trimethyl ether; 6-hydroxy-7,13,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.0^{4,16.0^{11,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione; 6-hydroxy-7,13,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.0{4,16.0{11,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione; 6-hydroxy-7,13,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione; (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2-hydroxy-3,7,8-trimethoxy-; [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-hydroxy-3,7,8-trimethoxy-; 2-Hydroxy-3,7,8-trimethoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione; Diphenic acid, 4,6,6-trihydroxy-4,5,5-trimethoxy-, di-delta-lactone; Methyl1-methyl-1H-indole-2-carboxylate; Ellagic acid 3,3,4-trimethyl ether; ELLAGIC ACID, 3,3,4-TRI-O-METHYL; 2,3,8-Tri-O-methylellagic acid; 3,7,8-tri-O-methylellagic acid; 3,3,4-tri-o-methylellagic acid; 3,4,3-Tri-O-methylellagic acid; 3,3,4-O-trimethylellagic acid; ELLAGIC ACID,3,4-TRI-O-METHYL; 3,3,4-Trimethoxyellagic acid; D3NBF2EA6P; Combretum caffrum; 3,4,3'-Tri-O-methylellagic acid
数据库引用编号
16 个数据库交叉引用编号
- ChEBI: CHEBI:1368
- KEGG: C10836
- PubChem: 5281860
- Metlin: METLIN68618
- ChEMBL: CHEMBL451476
- MeSH: 3,7,8-tri-O-methylellagic acid
- ChemIDplus: 0001617498
- CAS: 1617-49-8
- CAS: 5145-53-9
- medchemexpress: HY-N1652
- PMhub: MS000021957
- PubChem: 13019
- KNApSAcK: C00002678
- 3DMET: B04170
- NIKKAJI: J264.667F
- KNApSAcK: 1368
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
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)
16 个相关的物种来源信息
- 201007 - Aglaia elaeagnoidea: 10.1021/NP034057L
- 16922 - Camptotheca acuminata: 10.1055/S-2004-835854
- 167387 - Castanopsis fissa: 10.1016/J.PHYTOCHEM.2011.07.007
- 13413 - Cercidiphyllum japonicum: 10.1016/S0031-9422(00)95184-7
- 1679355 - Cleidion brevipetiolatum: 10.1016/J.FITOTE.2007.06.007
- 507393 - Combretum caffrum: 10.1021/NP50051A008
- 179843 - Dipentodon sinicus: 10.1007/S10600-007-0060-Y
- 1534498 - Euphorbia fusiformis: 10.1016/0031-9422(88)80150-X
- 1489654 - Garcinia merguensis: 10.1055/S-2008-1074544
- 122810 - Lagerstroemia speciosa: 10.1021/JF802152Z
- 463319 - Mallotus apelta: 10.1016/S0031-9422(98)00395-1
- 300977 - Mallotus nudiflorus: 10.1002/HLCA.200490070
- 316725 - Neoboutonia mannii: 10.1016/S0031-9422(03)00158-4
- 746495 - Phyllanthus acutissimus: 10.1021/NP7007347
- 22663 - Punica granatum: 10.1021/NP0498051
- 98583 - Rhodomyrtus tomentosa: 10.1016/J.TET.2008.09.054
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
- Yulin Ren, Gerardo D Anaya-Eugenio, Austin A Czarnecki, Tran Ngoc Ninh, Chunhua Yuan, Hee-Byung Chai, Djaja D Soejarto, Joanna E Burdette, Esperanza J Carcache de Blanco, A Douglas Kinghorn. Cytotoxic and NF-κB and mitochondrial transmembrane potential inhibitory pentacyclic triterpenoids from Syzygium corticosum and their semi-synthetic derivatives.
Bioorganic & medicinal chemistry.
2018 08; 26(15):4452-4460. doi:
10.1016/j.bmc.2018.07.025
. [PMID: 30057155] - Xiaoping Gao, Jianming Wu, Wenjun Zou, Yanping Dai. Two ellagic acids isolated from roots of Sanguisorba officinalis L. promote hematopoietic progenitor cell proliferation and megakaryocyte differentiation.
Molecules (Basel, Switzerland).
2014 Apr; 19(4):5448-58. doi:
10.3390/molecules19045448
. [PMID: 24879588] - Nuch Pojchaijongdee, Uthai Sotanaphun, Siripan Limsirichaikul, Onoomar Poobrasert. Geraniinic acid derivative from the leaves of Phyllanthus reticulatus.
Pharmaceutical biology.
2010 Jul; 48(7):740-4. doi:
10.3109/13880200903273898
. [PMID: 20645770] - Nahla A Ayoub. A trimethoxyellagic acid glucuronide from Conocarpus erectus leaves: isolation, characterization and assay of antioxidant capacity.
Pharmaceutical biology.
2010 Mar; 48(3):328-32. doi:
10.3109/13880200903131567
. [PMID: 20645821] - Naisheng Bai, Kan He, Marc Roller, Bolin Zheng, Xiaozhuo Chen, Zhongguang Shao, Tangsheng Peng, Qunyi Zheng. Active compounds from Lagerstroemia speciosa, insulin-like glucose uptake-stimulatory/inhibitory and adipocyte differentiation-inhibitory activities in 3T3-L1 cells.
Journal of agricultural and food chemistry.
2008 Dec; 56(24):11668-74. doi:
10.1021/jf802152z
. [PMID: 19053366] - Wei-Ku Zhang, Jie-Kun Xu, Xiao-Qi Zhang, Xin-Sheng Yao, Wei-Cai Ye. Chemical constituents with antibacterial activity from Euphorbia sororia.
Natural product research.
2008 Mar; 22(4):353-9. doi:
10.1080/14786410701838114
. [PMID: 18322851] - Jong Min Kim, Dae Sik Jang, Yun Mi Lee, Jeong Lim Yoo, Young Sook Kim, Joo-Hwan Kim, Jin Sook Kim. Aldose-reductase- and protein-glycation-inhibitory principles from the whole plant of Duchesnea chrysantha.
Chemistry & biodiversity.
2008 Feb; 5(2):352-6. doi:
10.1002/cbdv.200890034
. [PMID: 18293434] - Nasim Sultana, Nam Ho Lee. Antielastase and free radical scavenging activities of compounds from the stems of Cornus kousa.
Phytotherapy research : PTR.
2007 Dec; 21(12):1171-6. doi:
10.1002/ptr.2230
. [PMID: 17661332] - Victor Kuete, Ghislain Fotso Wabo, Bathélémy Ngameni, Armelle Tsafack Mbaveng, Robert Metuno, François-Xavier Etoa, Bonaventure Tchaleu Ngadjui, Véronique Penlap Beng, J J Marion Meyer, Namrita Lall. Antimicrobial activity of the methanolic extract, fractions and compounds from the stem bark of Irvingia gabonensis (Ixonanthaceae).
Journal of ethnopharmacology.
2007 Oct; 114(1):54-60. doi:
10.1016/j.jep.2007.07.025
. [PMID: 17766070] - Zeng-jun Guo, Jian-feng Zuo, Xiao-qian Bo, Qi-shi Sun. [Study on chemical constituents of Euphorbia hylonoma hand. -Mazz].
Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials.
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. [PMID: 17674791] - Rufeng Wang, Wei Wang, Liang Wang, Ruining Liu, Yi Ding, Lijun Du. Constituents of the flowers of Punica granatum.
Fitoterapia.
2006 Dec; 77(7-8):534-7. doi:
10.1016/j.fitote.2006.06.011
. [PMID: 16887296] - Xiao-Hong Yan, Yue-Wei Guo. Two new ellagic acid glycosides from leaves of Diplopanax stachyanthus.
Journal of Asian natural products research.
2004 Dec; 6(4):271-6. doi:
10.1080/10286020310001595944
. [PMID: 15621586] - F A Moharram, M S Marzouk, S A A El-Toumy, A A E Ahmed, E A Aboutabl. Polyphenols of Melaleuca quinquenervia leaves--pharmacological studies of grandinin.
Phytotherapy research : PTR.
2003 Aug; 17(7):767-73. doi:
10.1002/ptr.1214
. [PMID: 12916075] - Atta-Ur-Rahman, F N Ngounou, M I Choudhary, S Malik, T Makhmoor, M Nur-E-Alam, S Zareen, D Lontsi, J F Ayafor, B L Sondengam. New antioxidant and antimicrobial ellagic acid derivatives from Pteleopsis hylodendron.
Planta medica.
2001 Jun; 67(4):335-9. doi:
10.1055/s-2001-14306
. [PMID: 11458450] - J Conrad, B Vogler, I Klaiber, S Reeb, J H Guse, G Roos, W Kraus. Vanillic acid 4-O-beta-D-(6'-O-galloyl) glucopyranoside and other constituents from the bark of Terminalia macroptera Guill.et Perr.
Natural product letters.
2001; 15(1):35-42. doi:
10.1080/10575630108041255
. [PMID: 11547421] - G R Pettit, G M Cragg, S B Singh. Antineoplastic agents, 122. Constituents of Combretum caffrum.
Journal of natural products.
1987 May; 50(3):386-91. doi:
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Zhong yao tong bao (Beijing, China : 1981).
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