Menadione
fo-e8bd26f7b7f9490c
Identity
- Type
- Neutral molecule
- CAS
- 58-27-5
- EC
- 200-372-6
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
50- 1,4-Dihydro-1,4-dioxo-2-methylnaphthalene
- 1,4-Naphthalenedione, 2-methyl-
- 1,4-Naphthoquinone, 2-methyl-
- 2-Methyl-1,4-dihydronaphthalene-1,4-dione
- 2-methyl-1,4-naphthalenedione
- 2-Methyl-1,4-naphthochinon
- 2-Methyl-1,4-naphthodione
- 2-methyl-1,4-naphthoquinone
- 2-methylnaphthalene-1,4-dione
- 2-methylnaphthoquinone
- 3-methyl-1,4-naphthoquinone
- Aquakay
- Aquinone
- Hemodal
- K-Thrombyl
- K-Vitan
- Kaergona
- Kanone
- Kappaxan
- Kappaxin
- Karcon
- Kareon
- Kativ-G
- Kayklot
- Kaykot
- Kaynone
- Kayquinone
- Kipca
- Kipca-Oil Soluble
- Klottone
- Koaxin
- Kolklot
- menadion
- menaphthon
- menaphthone
- menaquinone
- menaquinone 0
- Mitenon
- Mitenone
- MNQ
- Panosine
- Prokayvit
- SeaKleen 500SC
- SeaKleen 800WP
- Synkay
- Thyloquinone
- Vitamin K0
- Vitamin K2(0)
- vitamin K3
- β-Methyl-1,4-naphthoquinone
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | MJVAVZPDRWSRRC-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-methyl-1,4-naphthalenedione |
| Molecular formula chemrof:molecular_formula | C11H8O2 |
| Molecular mass chemrof:molecular_mass | 172.183 |
| Monoisotopic mass chemrof:monoisotopic_mass | 172.052429, 172.05243 |
| SMILES string chemrof:smiles_string | CC1=CC(=O)c2ccccc2C1=O |
Known URLs
70Where 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=58-27-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28869 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.000.338 | enrich_references.pubchem_identifier_url |
| ChemSpider | https://www.chemspider.com/Chemical-Structure.3915.html | enrich_references.chebi_xrefs |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4021715 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB00170 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB00170 | enrich_references.pubchem_identifier_url |
| drugcentral | drugcentral:1683 | enrich_references.chebi_xrefs |
| drugcentral.org | https://drugcentral.org/drugcard/1683 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4170 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=758200 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL590 | enrich_references.pubchem_identifier_url |
| foodb.food | foodb.food:FDB000953 | enrich_references.chebi_xrefs |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/723JX6CXY5 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0001892 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.591H | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C05377 | enrich_references.chebi_xrefs |
| KEGG | https://www.genome.jp/entry/D02335 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C05377 | enrich_references.pubchem_identifier_url |
| kegg.jp | https://www.kegg.jp/entry/D02335 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-3755 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37914 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-3766 | enrich_references.chebi_xrefs |
| ncithesaurus.nci.nih.gov | https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C66086 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:VK3 | enrich_references.chebi_xrefs |
| pharmgkb.org | https://www.pharmgkb.org/chemical/PA450358 | enrich_references.pubchem_identifier_url |
| pharos.nih.gov | https://pharos.nih.gov/ligands/WVQKKNPRLQ3J | enrich_references.pubchem_identifier_url |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL590 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/4055 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017890 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/10433694 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11372776 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12665684 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12895502 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/13779073 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15052609 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15265851 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15613473 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15722567 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16109308 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16140270 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/16469140 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1650428 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1697141 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1857739 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18698499 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19593550 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19766112 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2064595 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/2333843 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/28166217 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30119016 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/30609653 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/3083821 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31238027 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31520616 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/31701430 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32630491 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/32798378 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/33227312 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/33800926 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/33901557 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/33945810 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/34040527 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/8785182 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9010592 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/9380028 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1908453 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q192471 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Menadione | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 230ff9e4-605d-466e-b03c-e8db9f2961a6 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| f8590412-26c0-4364-a77c-278c63dbb1e5 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| be25ea81-e528-49ee-ab99-14e2ca9501d0 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 49ed7a3b-6f14-49fb-a519-d0b7dc5a0d6d | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 96bda5f8-6e85-4a48-ae3a-c514d9d24b18 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 4750392c-0381-4f7c-98b7-2a323f863408 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 7594ba4a-916a-40ce-a0de-aa4d2f4e3526 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 98fb174f-2b55-403c-8ea8-7d5e0027208e | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 2663038b-6c16-436f-a525-874b08376830 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 714ea8d4-5472-4ec3-a0ac-c5280bb91c1d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| f5d6cb3b-af78-4a5b-9eb1-1e58f88f79b5 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| e7cfeeb8-5600-4377-9ddd-aff6b5b88adf | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 48884c68-1aac-4458-818d-4274cf61c2e2 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
{
"flow_object_id": "fo-e8bd26f7b7f9490c",
"prefLabel": [
{
"@value": "Menadione",
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{
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{
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{
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},
{
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{
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{
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{
"@value": "3-methyl-1,4-naphthoquinone",
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{
"@value": "Aquakay",
"@language": "en",
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{
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{
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},
{
"@value": "K-Thrombyl",
"@language": "en",
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "K-Vitan",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kaergona",
"@language": "en",
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"provenance": {
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=58-27-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kanone",
"@language": "en",
"@lang": "en",
"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kappaxan",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "consensus_match",
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"prov:hadPrimarySource": [
"CAS:58-27-5",
"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=58-27-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kappaxin",
"@language": "en",
"@lang": "en",
"provenance": {
"prov:wasGeneratedBy": "chebi_altlabels",
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"EF 3.1",
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"prov:wasDerivedFrom": "chebi synonym match"
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},
{
"@value": "Karcon",
"@language": "en",
"@lang": "en",
"provenance": {
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"prov:hadPrimarySource": [
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"EF 3.1",
"https://commonchemistry.cas.org/detail?cas_rn=58-27-5"
],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kareon",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kativ-G",
"@language": "en",
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Kayklot",
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},
{
"@value": "Kaykot",
"@language": "en",
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"provenance": {
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],
"prov:wasDerivedFrom": "common chemistry CAS lookup"
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},
{
"@value": "Kaynone",
"@language": "en",
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"provenance": {
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"https://commonchemistry.cas.org/detail?cas_rn=58-27-5"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=58-27-5"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"200-372-6"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=200-372-6"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"http://www.w3.org/2004/02/skos/core#definition": [
{
"@value": "A member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia.",
"@language": "en",
"provenance": {
"prov:wasGeneratedBy": "enrich_references.chebi_definition",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"http://purl.obolibrary.org/obo/CHEBI_28869"
],
"prov:wasDerivedFrom": "chebi.definition"
}
}
],
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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