[논문] Comprehensive Toxic Plants
2024-12-01
조회수 38
조회수 38
프로세스
유형
모델
목적
자료실
AI 활용신약DB 상세
본 DB에서는 해당 논문의 원본데이터 및 이를 활용한 다른 논문의 전처리 데이터의 정보를 제공하고 있습니다.
원저작물에 대한 권리는 해당 연구자 및 기관에 있습니다.
The production of toxic plant secondary metabolites (phytotoxins) for defense is a widespread phenomenon in the plant kingdom and is even present in agricultural crops. These phytotoxins may have similar characteristics to anthropogenic micropollutants in terms of persistence and toxicity. However, they are only rarely included in environmental risk assessments, partly because a systematic overview of phytotoxins is missing. Here, we present a newly developed, freely available database, Toxic Plants–PhytoToxins (TPPT), containing 1586 phytotoxins of potential ecotoxicological relevance in Central Europe linked to 844 plant species. Our database summarizes phytotoxin patterns in plant species and provides detailed biological and chemical information as well as in silico estimated properties. Using the database, we evaluated phytotoxins regarding occurrence, approximated from the frequencies of Swiss plant species; environmental behavior based on aquatic persistence and mobility; and toxicity. The assessment showed that over 34% of all phytotoxins are potential aquatic micropollutants and should be included in environmental investigations.
| table | data field | content description | example |
|---|---|---|---|
| phytotoxins | phytotoxin number | continuous numbering of the phytotoxins, labeled with a T for toxins | T1433 |
| phytotoxins | phytotoxin name | most common English name, important alternative names in brackets | ptaquiloside (braxin C) |
| phytotoxins | CASRN | Chemical Abstract Service Registry Numbera | 87625-62-5 |
| phytotoxins | major plant genus | all plant genera that are included in the database and contain the phytotoxin | Pteridium |
| phytotoxins | additional plant genus | plant genera that produce the phytotoxin but are not included in the database because of low toxicity | — |
| phytotoxins | PSM class | plant-secondary-metabolite (PSM) classes to which the phytotoxin belongsb | terpene, sesquiterpene, norsesquiterpene |
| phytotoxins | InChIKey | short version of the IUPAC Chemical Identifier (InChI) | GPHSJPVUEZFIDE-YVPLJZHISA-N |
| phytotoxins | stereo SMILES | SMILES with stereoinformationa | C[C@@H]1C[C@]2(C═C(C3(CC3)[C@@]([C@H]2C1═O)(C)O)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| phytotoxins | canonical SMILES | SMILES without stereoinformationc | — |
| phytotoxins | molecular formula | molecular formula including charge | C20H30O8 |
| phytotoxins | molecular weight | molecular weight (g/mol) | 398.5 |
| phytotoxins | ChemSpider_ID | ChemSpider identification number | 10312775 |
| phytotoxins | PubChem_CID | PubChem compound identification number | 13962857 |
| phytotoxins | references | all references used for the phytotoxin–plant-species-relationship assembly | Rasmussen et al. (2003), (52) Rasmussen et al. (2005), (14) Hoerger et al. (2009), (53) Teuscher and Lindequist (2010), (23) KNApSAcK database (51) |
| phytotoxin–toxic-plant-species relationships | number | continuous numbering | 4183 |
| phytotoxin–toxic-plant-species relationships | composition | additional information about the composition (e.g., major, minor, mix, possible) or the role (e.g., precursor, metabolite, aglycone)a | major toxin |
| toxic plant species | plant number | continuous numbering of the plant species, labeled with a P for plant species | P14 |
| toxic plant species | Latin plant name | plant species name in Latin | Pteridium aquilinum (L.) Kuhn |
| toxic plant species | German plant name | plant species name in Germana | Adlerfarn |
| toxic plant species | English plant name | plant species name in Englisha | bracken fern |
| toxic plant species | plant genus | genus of the plant species | Pteridium |
| toxic plant species | plant family | family of the plant species | Dennstaedtiaceae |
| toxic plant species | global spatial distribution | distribution of the plant within the worldd | global |
| toxic plant species | Swiss frequency | percent of 10 km2 areas in which the plant species is found (for Switzerland) | 52 |
| toxic plant species | Swiss appearance | distinction between alien and domestic plants in Switzerland | domestic |
| toxic plant species | vegetation type | type of vegetation in which the plant species growse | forest plant |
| toxic plant species | blooming period | time period in which the plant species is blooming | July–Sept |
| toxic plant species | toxic plant part | definition of the toxic plant parta,f | whole plant |
| toxic plant species | human toxicity | approximate characterization of the toxic effect on humansg | toxic |
| toxic plant species | animal toxicity | approximate strength of the animal toxicityh | very strongly toxic |
| toxic plant species | invasive foreign | specification of whether a plant species is invasivei | — |
| toxic plant species | garden plant | information on whether a plant species is used as a garden plant (yes/—) | — |
| toxic plant species | agricultural plant | information on whether a plant species is used as an agricultural plant (yes/—) | — |
| remarks | plant genus | remarks are combined for the plant genusj | Pteridium |
| remarks | comment | data field for all kind of comments and additional information or specifications | Norsesquiterpenoids are toxic (carcinogenic); the major one is ptaquiloside. Further, the cyanogenic glycoside prunasin and the enzyme thiaminase are present. |
| remarks | scientific-knowledge-availability score | description of the knowledge found in the literature of the phytotoxin–plant-species relationshipsk | 2.5 |