Toralactone (BioDeep_00000001020)
Secondary id: BioDeep_00000861297
human metabolite PANOMIX_OTCML-2023 natural product
代谢物信息卡片
化学式: C15H12O5 (272.0685)
中文名称: 决明内酯
谱图信息:
最多检出来源 Chinese Herbal Medicine(otcml) 61.9%
分子结构信息
SMILES: c1(cc(c2c(c1)cc1c(c2O)c(=O)oc(c1)C)O)OC
InChI: InChI=1S/C15H12O5/c1-7-3-8-4-9-5-10(19-2)6-11(16)12(9)14(17)13(8)15(18)20-7/h3-6,16-17H,1-2H3
描述信息
Toralactone is an organic heterotricyclic compound that is 9,10-dihydroxy-1H-benzo[g]isochromen-1-one substituted at positions 3 and 7 by methyl and methoxy groups respectively. It has a role as a plant metabolite. It is an organic heterotricyclic compound, a lactone, a member of phenols, an aromatic ether, a polyketide and a naphtho-alpha-pyrone. It is functionally related to a nor-toralactone.
Toralactone is a natural product found in Senna obtusifolia and Senna tora with data available.
An organic heterotricyclic compound that is 9,10-dihydroxy-1H-benzo[g]isochromen-1-one substituted at positions 3 and 7 by methyl and methoxy groups respectively.
Isolated from seeds of Cassia tora (charota). Toralactone is found in coffee and coffee products, herbs and spices, and pulses.
Toralactone is found in coffee and coffee products. Toralactone is isolated from seeds of Cassia tora (charota).
Toralactone, isolated from Cassia obtusifolia, mediates hepatoprotection via an Nrf2-dependent anti-oxidative mechanism[1].
Toralactone, isolated from Cassia obtusifolia, mediates hepatoprotection via an Nrf2-dependent anti-oxidative mechanism[1].
同义名列表
7 个代谢物同义名
9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]pyran-1-one, 9CI; 9,10-Dihydroxy-7-methoxy-3-methyl-1H-naphtho(2,3-c)pyran-1-one; 9,10-dihydroxy-7-methoxy-3-methyl-1H-benzo[g]isochromen-1-one; 1,10-Dihydroxy-7-methoxy-3-methylbenzo[g]isochromen-9-one; 9,10-dihydroxy-7-methoxy-3-methylbenzo[g]isochromen-1-one; Toralactone; Toralactone
数据库引用编号
18 个数据库交叉引用编号
- ChEBI: CHEBI:78029
- KEGG: C17673
- PubChem: 5321980
- HMDB: HMDB0038549
- Metlin: METLIN71853
- ChEMBL: CHEMBL4457748
- MeSH: toralactone
- KNApSAcK: C00032364
- foodb: FDB017935
- chemspider: 4479581
- CAS: 41743-74-2
- medchemexpress: HY-N7617
- PMhub: MS000025992
- MetaboLights: MTBLC78029
- PubChem: 96024016
- NIKKAJI: J516.545H
- KNApSAcK: 78029
- LOTUS: LTS0027662
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)
17 个相关的物种来源信息
- 2759 - Eukaryota: LTS0027662
- 3803 - Fabaceae: LTS0027662
- 9606 - Homo sapiens: -
- 3398 - Magnoliopsida: LTS0027662
- 33090 - Plants: -
- 53922 - Senna: LTS0027662
- 346985 - Senna obtusifolia:
- 346985 - Senna obtusifolia: 10.1248/CPB.47.1121
- 346985 - Senna obtusifolia: 10.1248/YAKUSHI1947.106.4_302
- 346985 - Senna obtusifolia: LTS0027662
- 362788 - Senna tora:
- 362788 - Senna tora: 10.1248/CPB.47.1121
- 362788 - Senna tora: 10.1248/CPB.55.1476
- 362788 - Senna tora: LTS0027662
- 35493 - Streptophyta: LTS0027662
- 58023 - Tracheophyta: LTS0027662
- 33090 - Viridiplantae: LTS0027662
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
- Ali Mahmoud El-Halawany, Mi Hwa Chung, Norio Nakamura, Chao-Mei Ma, Tsutomu Nishihara, Masao Hattori. Estrogenic and anti-estrogenic activities of Cassia tora phenolic constituents.
Chemical & pharmaceutical bulletin.
2007 Oct; 55(10):1476-82. doi:
10.1248/cpb.55.1476. [PMID: 17917292]
