Brightway Flows 1.0
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Juglone

fo-a972ba6892619e70

Identity

Type
Neutral molecule
CAS
481-39-0
EC
207-567-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Juglone

What it is used for

2

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
herbicide CHEBI:24527 A substance used to destroy plant 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

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KQPYUDDGWXQXHS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
IUPAC name chemrof:IUPAC_name 5-hydroxy-1,4-naphthalenedione
Molecular formula chemrof:molecular_formula C10H6O3
Molecular mass chemrof:molecular_mass 174.155
Monoisotopic mass chemrof:monoisotopic_mass 174.03169, 174.031694
SMILES string chemrof:smiles_string O=C1C=CC(=O)c2c(O)cccc21

Known URLs

30

Where 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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=481-39-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15794 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.880 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0031504 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=153189 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=34266 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=622948 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL43612 enrich_references.pubchem_identifier_url
gmelin gmelin:219094 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W6Q80SK9L6 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0030773 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.777K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C03840 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C03840 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000144 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44554 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:JUG enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/LNWNWCQW47PT enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3806 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=005215 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/19597959 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23163769 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27322260 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27600097 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27816681 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28069455 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28166217 enrich_references.chebi_xrefs
reaxys reaxys:1909764 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q900912 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Juglone enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5406651b-b328-4595-86e5-1d056a116dab Environmental → Air → Aircraft cruise height EF 3.1 kg 2
88a1f5fd-9dfb-446d-b353-3c68bada5353 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7306c45a-81fd-4042-a1c3-a22407a29f7c Environmental → Air → Indoor EF 3.1 kg 2
054a9748-dbef-41ec-8cc9-5ac59b7896ee Environmental → Air → Long-term EF 3.1 kg 0
b2d338e8-c922-4c98-a57e-7baf576846f5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
92c042be-6f1f-4e0f-b364-0507051fb699 Environmental → Air → Unknown EF 3.1 kg 2
49eb5bac-6c0d-4e0c-8829-76825dafbef5 Environmental → Ground → Agricultural EF 3.1 kg 2
9d1ef839-290f-46c9-a959-61d422f621fb Environmental → Ground → Non-agricultural EF 3.1 kg 2
1a689139-404f-431a-b7d6-a3b621d1ba21 Environmental → Ground → Unknown EF 3.1 kg 2
d8087ef0-009e-439a-98f6-590d1391b598 Environmental → Water → Long-term EF 3.1 kg 0
f172720f-da36-48a7-811e-07ca3f873ba0 Environmental → Water → Ocean EF 3.1 kg 2
be6e40ca-5dcc-40d9-b26e-1e892d818d66 Environmental → Water → Surface water EF 3.1 kg 2
c641f5a5-655a-4355-ad5a-39a1fbc92988 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-a972ba6892619e70",
  "prefLabel": [
    {
      "@value": "Juglone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Dihydro-1,4-dioxo-5-hydroxynaphthalene",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Naphthalenedione, 5-hydroxy-",
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    },
    {
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    },
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      "@value": "Akhnot",
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    },
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      "@value": "Nucin",
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    {
      "@value": "Regianin",
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