Pyroquilon
fo-288058bf75240742
Identity
- Type
- Neutral molecule
- CAS
- 57369-32-1
- EC
- 611-516-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
3
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| agrochemical CHEBI:33286 | An agrochemical is a substance that is used in agriculture or horticulture. | ChEBI |
| fungicide CHEBI:24127 | A substance used to destroy fungal pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
12- 1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
- 1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one
- 4-Lilolidone
- 4-Oxo-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline
- 4H-Pyrrolo[3,2,1-ij]quinolin-4-one, 1,2,5,6-tetrahydro-
- 5,6-Dihydro-1H-pyrrolo[3,2,1-ij]quinolin-4(2H)-one
- Coratop
- Fongoren
- Fongorene
- Fungorene
- Lilolidone
- pyroquilone
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | XRJLAOUDSILTFT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2 |
| IUPAC name chemrof:IUPAC_name | 1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one |
| Molecular formula chemrof:molecular_formula | C11H11NO |
| Molecular mass chemrof:molecular_mass | 173.215 |
| Monoisotopic mass chemrof:monoisotopic_mass | 173.08406, 173.084064 |
| SMILES string chemrof:smiles_string | O=C1CCc2cccc3c2N1CC3 |
Known URLs
21Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| agr | agr:IND92004973 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=57369-32-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:45141 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.123.139 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID6058132 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02756 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL144366 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WS195Z0WJH | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0037113 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.751J | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C18487 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C18487 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47617 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:PYQ | enrich_references.chebi_xrefs |
| pesticides | pesticides:pyroquilon | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL144366 | enrich_references.pubchem_identifier_url |
| ppdb | ppdb:575 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/91665 | enrich_references.pubchem_compound |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/24646830 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1455831 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q19298813 | enrich_references.pubchem_identifier_url |
Elementary flows
14| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| da3caf6d-f695-4527-a7e3-942a43bad4df | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 9124c7d0-de36-4023-ac23-920f1f42559e | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 994a65e1-9189-4c9f-b29c-50994fa4fbc7 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| cb5ff0a1-07f2-4fb2-a832-0fc9159042a5 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 64625b6b-ceeb-4397-9432-778f3428b4cc | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 00a08e1e-06fc-4911-9d5d-ea9e836b3540 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 2d0276ea-78b8-4d54-b518-5383420e49f7 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 95029d06-4bdb-4549-98b4-f3b702203e22 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| bf49f2315e2ea5097d0626a85101d0c206211ce0 | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| c00d50d0-2a8c-47cd-b59c-33a0e5f14a52 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 6d3f521f-a00e-4a00-9fa7-940fc23ecddd | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| aa131352-9001-4ca0-af2c-932cf7d122cf | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 6a627f22-6d4e-4398-b534-b0385458ed41 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 6890bd72-15ec-458b-a374-a22cbde7f84d | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works