Consensus flow list

Warfarin

fo-e68613070d72a3d4

Identity

Type
NeutralMolecule
CAS
81-81-2
EC
201-377-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Warfarin

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
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
rodenticide CHEBI:33288 A substance used to destroy rodent pests. ChEBI

Alternative labels

57

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PJVWKTKQMONHTI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3
IUPAC name chemrof:IUPAC_name 4-hydroxy-3-[(1RS)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one
Molecular formula chemrof:molecular_formula C19H16O4
Molecular mass chemrof:molecular_mass 308.333
Monoisotopic mass chemrof:monoisotopic_mass 308.104859, 308.10486
SMILES string chemrof:smiles_string CC(=O)CC(c1ccccc1)c1c(O)c2ccccc2oc1=O

Known URLs

46

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=81-81-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:10033 enrich_references.chebi_id_link
DrugBank https://go.drugbank.com/drugs/DB00682 enrich_references.chebi_xrefs
foodb.food foodb.food:FDB022750 enrich_references.chebi_xrefs
HMDB https://hmdb.ca/metabolites/HMDB0001935 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/C01541 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D08682 enrich_references.chebi_xrefs
lincs.smallmolecule lincs.smallmolecule:LSM-1405 enrich_references.chebi_xrefs
patent patent:US2427578 enrich_references.chebi_xrefs
patent patent:US2765321 enrich_references.chebi_xrefs
patent patent:US2777859 enrich_references.chebi_xrefs
patent patent:US3239529 enrich_references.chebi_xrefs
pesticides pesticides:warfarin enrich_references.chebi_xrefs
pmc pmc:PMC10207235 enrich_references.chebi_xrefs
ppdb ppdb:681 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/13358873 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15578879 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18294321 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19294412 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24478171 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24973057 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25022924 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25023204 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25393417 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25466603 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25534862 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25537751 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25555316 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25683623 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25757926 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25823787 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25828628 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25830869 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25842804 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25845131 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25986145 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26114209 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26142522 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26142525 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26203765 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26238769 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37359384 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37648560 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/37755126 enrich_references.chebi_xrefs
reaxys reaxys:1293536 enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/Warfarin enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e2fb2bc6-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d98-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4b72c3ff-1a1c-459d-8d24-cf02bbacab20 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d97-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9d99-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d96-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d94-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-909e-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d95-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-909c-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-909f-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-909b-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-909d-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-e68613070d72a3d4",
  "prefLabel": [
    {
      "@value": "Warfarin",
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  "altLabel": [
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    {
      "@value": "(RS)-warfarin",
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    {
      "@value": "(±)-Warfarin",
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    {
      "@value": "2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-",
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      "@value": "3-(1′-Phenyl-2′-acetylethyl)-4-hydroxycoumarin",
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      "@value": "3-(α-Phenyl-β-acetylethyl)-4-hydroxycoumarin",
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      "@value": "4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one",
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    },
    {
      "@value": "4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one",
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    },
    {
      "@value": "4-hydroxy-3-[(1RS)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one",
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    },
    {
      "@value": "4-hydroxy-3-[(1RS)-3-oxo-1-phenylbutyl]coumarin",
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      "@lang": "en",
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    },
    {
      "@value": "Athrombine-K",
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      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=81-81-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Brumolin",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Circuvit",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=81-81-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Co-Rax",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=81-81-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Compound 42",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=81-81-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Coumafen",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Coumafene",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "Coumaphen",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=81-81-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Coumarin, 3-(α-acetonylbenzyl)-4-hydroxy-",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Coumefene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=81-81-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dethmor",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:81-81-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=81-81-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DL-3-(alpha-acetonylbenzyl)-4-hydroxycoumarin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_10033"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "DL-3-(α-Acetonylbenzyl)-4-hydroxycoumarin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=81-81-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DL-warfarin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_10033"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Kumader",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=81-81-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Kumadu",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Kumatox",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Martefarin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D014859",
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